3,5-Dichlorosalicylicaldehyde

3,5-Dichlorosalicylicaldehyde structural formula

3,5-Dichlorosalicylicaldehyde structural formula

Structural formula

Business number 022L
Molecular formula C7H4Cl2O2
Molecular weight 191.01
label

3,5-Dichloro-2-hydroxybenzaldehyde,

3,5-Dichlorosalicylaldehyde,

Cl2C6H2(OH)CHO

Numbering system

CAS number:90-60-8

MDL number:MFCD00003320

EINECS number:202-005-5

RTECS number:None

BRN number:973391

PubChem number:24855836

Physical property data



  • 1. Characteristics: Off-white powder


    2. Density ( g/mL,25/4℃) : Undetermined


    3. Relative vapor density (g/mL,Air=1): Undetermined


    4. Melting point ( ºC 91-94


    5. Boiling point ( ºC,Normal pressure): Undetermined


    6. Boiling point ( ºC,5.2kPa): Undetermined


    7. Refractive Index: Undetermined


    8. Flashpoint (ºC): Undetermined


    9. Specific optical rotation (º): Undetermined


    10. Autoignition point or ignition temperature (ºC): Not OK


    11. Vapor pressure (kPa,25ºC): Undetermined


    17. Explosion limit (%,V/V): Undetermined


    18. Lower explosion limit (%,V/V): Not OK


    19. Solubility: Dissolvable in heat water and chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.67


2. Molar volume (m3/mol):123.4


3. isotonic specific volume (90.2K):339.0


4. Surface Tension (dyne/cm):56.9


5. Polarizability10-24cm3):17.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Organic synthesis.

NT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>): 339.0


4. Surface Tension (dyne/cm):56.9


5. Polarizability10-24cm3):17.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Organic synthesis.

3,5-Dibromo-o-hydroxybenzoic aldehyde

3,5-Dibromo-o-hydroxyphenyldehyde structural formula

3,5-Dibromo-o-hydroxyphenyldehyde structural formula

Structural formula

Business number 022K
Molecular formula C7H4Br2O2
Molecular weight 279.91
label

3,5-Dibromosalicylaldehyde,

3,5-Dibromo-2-hydroxybenzaldehyde,

3,5-Dibromosalicylaldehyde,

3,5-Dibromo-2-hydroxybenzaldehyde,

Br2C6H2-2-(OH)CHO

Numbering system

CAS number:90-59-5

MDL number:MFCD00003318

EINECS number:202-003-4

RTECS number:CU5609000

BRN number:1424739

PubChem number:24847478

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 50.26

2. Molar volume (cm3/mol ): 131.8

3. Isotonic specific volume (90.2K): 368.3

4. Surface tension (dyne/cm): 60.8

5. Polarizability (10-24cm3): 19.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

3,4,5-Trimethoxyphenylacrylic acid

3,4,5-Trimethoxyphenylacrylic acid structural formula

3,4,5-Trimethoxyphenylacrylic acid structural formula

Structural formula

Business number 022H
Molecular formula C12H14O5
Molecular weight 238.24
label

3,4,5-Trimethoxycinnamic acid,

o-Methyl oric acid,

3-(3,4,5)-Trimethoxyphenyl-2-acrylic acid,

3,4,5-Trimethoxycinnamic acid,

o-Methylsinapic acid,

3-(3,4,5)-Trimethoxyphenyl)-2-propenoic acid,

acidic solvent

Numbering system

CAS number:90-50-6

MDL number:MFCD00004388

EINECS number:201-999-8

RTECS number:GE0722000

BRN number:1537834

PubChem number:24900246

Physical property data

1. Properties: White to slightly yellow powder or needle-like crystals. It is a mixture of cis and trans isomers, but mainly trans.

2. Density (g/mL, 25/4℃): 1.209

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 126~127

5. Boiling point (ºC, normal pressure): 396.4

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 151.5

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in hot water and chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 63.74

2. Molar volume (cm3/mol): 197.0

3. Isotonic specific volume (90.2K ): 502.0

4.   Surface tension (dyne/cm): 42.1

5. Polarizability (10-24cm3): 25.26

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 65

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 262

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Found in flue-cured tobacco leaves.

Storage method

This product should be kept sealed.

Synthesis method

1. Tobacco: FC, 9.

Purpose

Organic Synthesis.

3,4-Dimethoxybenzaldehyde

3,4-Dimethoxybenzaldehyde Structural Formula

3,4-Dimethoxybenzaldehyde Structural Formula

Structural formula

Business number 03BR
Molecular formula C9H10O3
Molecular weight 166.17
label

veratraldehyde,

Veratraldehyde,

Veratric aldehyde,

3,4-Dimethoxybenzenecarbonal,

synergist,

food additives,

Flavor enhancer

Numbering system

CAS number:120-14-9

MDL number:MFCD00003363

EINECS number:204-373-2

RTECS number:YX5088000

BRN number:473899

PubChem number:24890067

Physical property data

1. Properties: colorless needle-like crystals

2. Density (g/mL, 25℃): 1.114

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): 42~43

5. Boiling point (ºC, normal pressure): 281

6. Boiling point (ºC, 2.4KPa): 172-175

7. Refractive index: Undetermined

8. Flash point (ºC): >100

9 . Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility : Insoluble in cold water, slightly soluble in hot water, easily soluble in alcohol and ether.

Toxicological data

1. Irritation: Rabbit transdermal standard Drez test: 500mg/24H Moderate irritation

2. Acute toxicity: Rat oral LD50: 2000mg/kg

Mouse oral LD50: 3200mg/kg

Rabbit transdermal LD5O: >5g/kg

Ecological data

Slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 46.36

2. Molar volume (cm3/mol): 149.1

3. Isotonic specific volume (90.2K): 365.6

4. Surface tension (dyne/cm): 36.1

5. Polarizability (10-24cm 3): 18.37

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 147

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Found in burley tobacco leaves.

3. Naturally found in small amounts in essential oils such as citronella oil.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.

Synthesis method

Obtained from the interaction between vanillin and dimethyl sulfate.

Purpose

1. This product is an organic synthesis intermediate. It is used in the pharmaceutical industry to synthesize the drug methyldopa, and is also used to produce the veterinary drug sulfa synergist Ditrizozin.

2. Used in frosting, baked goods, and candies.

3. A small amount is used in daily chemical fragrance formulas. In addition to being used as a spice, it is also used as a synthetic pharmaceutical intermediate.

3,5-dihydroxy-2-naphthoic acid

3,5-dihydroxy-2-naphthoic acid structural formula

3,5-dihydroxy-2-naphthoic acid structural formula

Structural formula

Business number 020N
Molecular formula C11H8O4
Molecular weight 204.18
label

3,5-dihydroxy-2-naphthalenecarboxylic acid,

(HO)2C10H5CO2H

Numbering system

CAS number:89-35-0

MDL number:MFCD00003982

EINECS number:201-900-8

RTECS number:None

BRN number:3287771

PubChem number:24856640

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 54.78

2. Molar volume (cm3/mol): 132.9

3. Isotonic specific volume (90.2K ): 403.2

4. Surface tension (dyne/cm): 84.6

5. Polarizability (10-24cm3): 21.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 17

6. Topological molecule polar surface area 77.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 253

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

1,2,3,4-Benzenetetracarboxylic acid

1,2,3,4-Benzenetetracarboxylic acid structural formula

1,2,3,4-Benzenetetracarboxylic acid structural formula

Structural formula

Business number 020E
Molecular formula C10H6O8
Molecular weight 254.15
label

1,2,4,5-tetracarboxylic acid benzene,

Pyromellitic acid,

Pyromellitic acid,

Pyromellitic acid,

C6H2(CO2H)4

Numbering system

CAS number:89-05-4

MDL number:MFCD00002471

EINECS number:201-879-5

RTECS number:DB9275000

BRN number:None

PubChem number:24891744

Physical property data

1. Properties: White to slightly yellow powdery crystal.

2. Density (g/mL, 25/4℃): 1.79

3. Melting point (ºC): Undetermined

4. Melting point (ºC) ): 276℃ (anhydrous), 242℃ (with 2 molecules of crystal water),

5. Crystalline phase standard combustion heat (enthalpy) (kJ·mol-1): -3244.02

6. Crystal phase standard claims heat (enthalpy) (kJ·mol-1): -1548.58

7. Crystal phase Phase standard combustion heat (enthalpy) (kJ·mol-1): -3221.76

8. Crystal phase standard claim heat (enthalpy) (kJ·mol-1 ): -1570.84

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/ V): Undetermined

19. Solubility: Easily soluble in alcohol, slightly soluble in ether and water. Can be sublimated.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 53.97

2. Molar volume (cm3/mol): 139.5

3. Isotonic specific volume (90.2K ): 455.7

4. Surface tension (dyne/cm): 113.7

5. Polarizability (10-24cm3): 21.39

Computational ChemistryData

1. Hydrophobic parameter calculation reference value (XlogP): 0

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 149

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 327

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool and dry place.

Synthesis method

Obtained from the oxidation of 1,2,4,5-tetramethylbenzene (or 5-isopropyl-1,2,4-trimethylbenzene), or from the chloromethylation and oxidation of xylene.

Purpose

Organic synthesis. Epoxy resin hardener. Intermediate of polyimide ester.

2,3,5-triiodobenzoic acid

2,3,5-triiodobenzoic acid structural formula

2,3,5-triiodobenzoic acid structural formula

Structural formula

Business number 0203
Molecular formula C7H3I3O2
Molecular weight 499
label

2,3,5-triiodobenzoic acid,

Johnkolor,Triiodobenzoic acid,

Plant Growth Regulator

Numbering system

CAS number:88-82-4

MDL number:MFCD00002420

EINECS number:201-859-6

RTECS number:DH9275000

BRN number:1955088

PubChem number:24900330

Physical property data

1. Properties: light yellow prismatic crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 224~226

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in hot ethanol and ether, slightly Soluble in boiling benzene, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 71.90

2. Molar volume (cm3/mol): 168.1

3. Isotonic specific volume (90.2K ): 496.2

4. Surface tension (dyne/cm): 75.7

5. Polarizability (10-24cm3): 28.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7.��Number of atoms: 12

8. Surface charge: 0

9. Complexity: 186

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored away from light.

Synthesis method

None

Purpose

Plant Growth Regulator. ​​​​

3,3′-Dimethylbenzidine

3,3'-dimethylbenzidine structural formula

Structural formula

Business number 03BH
Molecular formula C14H16N12
Molecular weight 212.29
label

o-Toluidine,

o-Toluidine; diaminodimethylbiphenyl,

o-Tolidine,

4-4’Diamino-3-3′-dimethylbiphenyl,

Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:119-93-7

MDL number:MFCD00014773

EINECS number:204-358-0

RTECS number:DD1225000

BRN number:2210640

PubChem number:24900054

Physical property data

1. Properties: White to reddish flaky crystals. [1]

2. Melting point (℃): 129~131[2]

3. Boiling point (℃) :300~339[3]

4. Relative density (water=1): 1.0[4]

5 .Octanol/water partition coefficient: 2.34[5]

6. Solubility: insoluble in water, soluble in ethanol, ether, and acetic acid. [6]

Toxicological data

1. Acute toxicity[7] LD50: 404mg/kg (rat oral)

2. Irritation No data yet

3. Mutagenicity [8] Microbial mutagenicity: Salmonella typhimurium 100μg/dish. Sister chromatid exchange: rabbit lymphocytes 50mg/L. Unprogrammed DNA synthesis: human HeLa cells 1 μmol/L. DNA damage: human lymphocytes 500 μmol/L (2h)

4. Carcinogenicity [9] IARC Carcinogenicity Comment: G2B, suspected carcinogenic to humans things.

Ecological data

1. Ecotoxicity No data yet

2. Biodegradability[10]

Aerobic biodegradation (h): 24~168

Anaerobic biodegradation (h): 96~672

3. Non-biodegradability[11]

Photooxidation half-life in water (h): 31.2~1740

Photooxidation half-life in air (h): 0.267~2.67

4. Bioaccumulation [12] BCF: 5~10 (carp, contact concentration 0.02mg/L, contact time 8 weeks); 34~83 (carp, exposure concentration 0.2mg/L, exposure time 8 weeks)

5. Other harmful effects [13] This substance has The environment is hazardous and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 68.96

2. Molar volume (cm3/mol): 191.8

3. Isotonic specific volume (90.2K ): 507.5

4. Surface tension (dyne/cm): 49.0

5. Polarizability (10-24cm3): 27.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:��

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 205

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenter Number of stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Total Number of price key units: 1

Properties and stability

1. Stability[14] Stable

2. Incompatible substances[15] Strong oxidants, strong acids

3. Conditions to avoid contact[16] Heating

4 .Hazards of aggregation[17] No aggregation

Storage method

Storage Precautions[18] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Use zinc powder (or ferrosilicon powder) to reduce o-nitrotoluene to 2,2′-dimethyl symmetric diphenylhydrazine in caustic soda medium, and then add 22.5% sulfuric acid and sodium metabisulfite (or In the presence of hydrochloric acid), rearrange to form 3,3′-dimethylbenzidine sulfate (or hydrochloride), add 30% liquid caustic soda, and deacidify to obtain the finished product.

2. The preparation method uses industrial product di-o-toluidine as raw material and purifies the reagent di-o-toluidine. Add 15kg of industrial hydrochloric acid with a relative density of 1.60 to 200L of distilled water, heat to 50-60°C, slowly add 12kg of industrial di-o-toluidine while stirring, add activated carbon and metastannic acid in sequence after complete dissolution, stir and filter, and add metastantin to the filtrate. Filter the stannic acid once, and slowly add 5% ammonia water at 50 to 60°C to the filtrate obtained with sufficient stirring until the pH value of the solution is 8 to 9. Filter while it is hot. Wash the obtained crystals with distilled water until the pH of the washing liquid = 7, and then use Dissolve in distilled water, add an aqueous solution of EDTA acid adjusted to a pH value of 5 to 6 with ammonia, stir evenly and leave it for 24 hours (continuous stirring during this period), then filter, wash once with distilled water, and filter dry to get the finished product.

Purpose

1. Photometric determination of gold, cerium and free chlorine. Determination of nitrate, manganese, nitrite, chromium salts, copper salts, cobalt, mercury and cyanide ions in the air.

2. Used as a chromogen for qualitative detection or photometric determination of gold. It is also used for the detection of free chlorine, nitrates and cyanide particles in water. Nitrite, chromium salts, copper salts, cobalt, mercury and air.

3. Dye intermediates. Mainly used to produce naphthol AS-G, cyan base R, direct blue 3B, direct dark green 2B-NB, direct dark brown B-NM, direct yellow-brown ND3G, direct black BN, direct red G, direct lake blue 5B, direct Copper salt blue 2R and various organic pigments, etc. It can also be used as a measuring agent for cobalt, copper, chromium and other metals, a reagent for measuring moisture and a redox indicator.

4. Used as a cross-linking agent for dyes, ulai sugar resin, and a reagent for identifying gold and free chlorine in water. [19]

3,4-dihydrocoumarin

3,4-dihydrocoumarin structural formula

3,4-dihydrocoumarin structural formula

Structural formula

Business number 03BE
Molecular formula C9H8O2
Molecular weight 148.16
label

3,4-Dihydro-2H-benzopyran-2-one,

Dihydrocumarin,

Melilotine,

food additives,

Flavor enhancer

Numbering system

CAS number:119-84-6

MDL number:MFCD00006881

EINECS number:204-354-9

RTECS number:MW5775000

BRN number:4584

PubChem number:24893333

Physical property data

1. Properties: Yellow needle-like crystals. It has a sweet grassy aroma, with notes of hay, caramel, and cinnamon.

2. Density (g/mL, 25℃): 1.169

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 25

5. Boiling point (ºC, normal pressure): 272

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index (n20D): 1.555-1.559

8. Flash point (ºC) :> 110

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11 . Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, slightly soluble in water.

Toxicological data

1. Irritation: guinea pig oral: 1%/48H moderate irritation

Rabbit transdermal: 500mg/24H moderate irritation

2. Acute toxicity: guinea pig oral Oral LD50: 1760mg/kg

                                                                                                                                                                                                                       less less than 1000?

Ecological data

Slightly hazardous to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.16

2. Molar volume (cm3/mol): 123.8

3. Isotonic specific volume (90.2K): 318.0

4, Surface tension (dyne/cm): 43.5

5, Polarizability (10-24cm3): 15.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 165

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Exist in smoke.

3. Irritating to the skin.

Storage method

Tightly sealed and protected from light, stored in a cool and dry place. The space inside the barrel should be as small as possible under safety conditions and filled with nitrogen for protection.

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.

Synthesis method

1. It is usually produced by catalyzing coumarin in the presence of nickel catalyst.

Purpose

1. It is prohibited to be used in daily chemical flavors, but can be used in food flavor formulas.

3,5-di-tert-butyl-4-hydroxybenzyl alcohol

3,5-di-tert-butyl-4-hydroxybenzyl alcohol structural formula

3,5-di-tert-butyl-4-hydroxybenzyl alcohol structural formula

Structural formula

Business number 01ZC
Molecular formula C15H24O2
Molecular weight 236.35
label

3,5-di-tert-butyl-4-hydroxybenzyl alcohol,

HOC6H2[C(CH3)3]2CH2OH

Numbering system

CAS number:88-26-6

MDL number:MFCD00017254

EINECS number:201-815-6

RTECS number:DO0750000

BRN number:2052291

PubChem number:24868276

Physical property data

None yet

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 71.36

2. Molar volume (cm3/mol): 235.0

3. Isotonic specific volume (90.2K ): 571.9

4. Surface tension (dyne/cm): 35.0

5. Polarizability (10-24cm3): 28.28

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 223

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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