N,N-diphenylcarboxamide

N,N-diphenylcarboxamide structural formula

N,N-diphenylcarboxamide structural formula

Structural formula

Business number 069G
Molecular formula C13H11NO
Molecular weight 197.23
label

N-formyldiphenylamine,

(C6H5)2NCHO

Numbering system

CAS number:607-00-1

MDL number:MFCD00003282

EINECS number:210-129-6

RTECS number:None

BRN number:2209397

PubChem ID:None

Physical property data

1. Physical property data

1. Boiling point:337 ℃
2.
Melting point:69-73℃

Toxicological data

None yet

Ecological data

3. Ecological data:


1 , Other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:


1, Molar refractive index:60.51


2, Molar volume (m3/mol):171.3


3, Isotonic specific volume (90.2K ):452.6


4, Surface tension (dyne/cm):48.7


5 Polarizability (10-24cm3): 23.99

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.3

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 175

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

Properties and stability:


No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

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dihydrothymine

Dihydrothymine structural formula

Dihydrothymine structural formula

Structural formula

Business number 07AS
Molecular formula C5H8N2O2
Molecular weight 128.13
label

5,6-dihydrothymine,

5,6-dihydro-5-methyluracil,

5,6-Dihydro-5-methyl-2,4-dihydroxypyrimidine,

5,6-Dihydro-5-methyluracil,

nucleic acid

Numbering system

CAS number:696-04-8

MDL number:MFCD00023159

EINECS number:211-787-7

RTECS number:None

BRN number:81983

PubChem number:24857735

Physical property data

1. Characteristics: white solid.


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


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


4. Melting point (ºC): 263-266


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 optical 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 (octanol/Logarial value of the partition coefficient of water: undetermined


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


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


19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 30.11


2. Molar volumem3/ mol111.5


3. isotonic ratio90.2K265.4


4. Surface Tensiondyne/cm32.1


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability: 11.93

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 8

6. Topological molecule polar surface area 58.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 155

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Keep away from oxides, heat and open flames.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

Purpose

None yet

Resource:allhdi.com

2,4,6-trimethylbenzaldehyde

2,4,6-Trimethylbenzaldehyde Structural Formula

2,4,6-Trimethylbenzaldehyde Structural Formula

Structural formula

Business number 053D
Molecular formula C10H12O
Molecular weight 148.20
label

Mesitaldehyde

Numbering system

CAS number:487-68-3

MDL number:MFCD00003341

EINECS number:207-662-1

RTECS number:CU8500000

BRN number:1364114

PubChem number:24882997

Physical property data

1. Character: colorless liquid


2. Density (g/ m3,25/4): 1.005


3. Relative vapor density (g/cm3,Air=1): Undetermined


4. Melting point (ºC):10-12


5. Boiling point (ºC,Normal pressure):237


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


7. Refractive index:1.553


8. Flash Point (ºF):222


9. Specific optical 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 (octanol/Log value of partition coefficient for water: undetermined


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


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


19. Solubility: soluble in benzene, toluene

Toxicological data

Mutagenicity data: sister chromatidsexchangeTESTSystem: Human lymphocytes,500umol/L.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:44.48


2 Molar volume m3/mol)149.9


3 Isotonic specific volume (90.2K):365.2


4 Surface Tensiondyne/cm35.2


5 Polarizability10-24cm3 )18.82

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 130

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Keep sealed in a ventilated, dry environment

Synthesis method

The preparation method is to drop 1,3,5-trimethylbenzene into the solution containing Cu(CO)+4catalyst solution and pass CO, react at 25°C to obtain the product.

Purpose

2,4,6-Trimethylbenzaldehyde is an intermediate of the herbicide trimethoprim.
Can be used in organic synthesis, and can be used to prepare medicines and other fine chemical products.

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4-(Trifluoromethyl)phenylenehydrazine

4-(trifluoromethyl)phenylenehydrazine structural formula

4-(trifluoromethyl)phenylenehydrazine structural formula

Structural formula

Business number 04AK
Molecular formula C8H7F3N2O
Molecular weight 204.15
label

4-(Trifluoromethyl)phenylenehydrazine,

4-(Trifluoromethyl)benzoylhydrazide,

4-(Trifluoromethyl)benzohydrazide,

TIMTEC-BB SBB001890,

4-(TRIFLUOROMETHYL)BENZHYDRAZIDE,

4-(TRIFLUOROMETHYL)BENZOIC ACID HYDRAZIDE,

4-(TRIFLUOROMETHYL)BENZENE-1-CARBOHYDRAZIDE,

ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIC ACID HYDRAZIDE,

AKOS BBS-00001991,

BUTTPARK 30\

Numbering system

CAS number:339-59-3

MDL number:MFCD00051703

EINECS number:None

RTECS number:None

BRN number:1968848

PubChem number:24878384

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): Not available


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC): 115-119


Boiling point (ºC, normal pressure): Not available


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: Not available


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of the (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 43.75


2. Molar Volume (m3/mol):150.4


3. isotonic specific volume (90.2K):366.8


4. Surface tension (dyne/cm):35.3


5. Polarizability(10-24cm3):17.34

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: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 55.1

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 209

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

Resource:allhdi.com

tangerine penicillin

Structural formula of penicillin tangerine

Structural formula of penicillin tangerine

Structural formula

Business number 05C8
Molecular formula C13H14O5
Molecular weight 250.25
label

4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid,

Milbeknock,

Mibemectin,

Milbimycin; pieteromycin; milbimycin,

Insecticide and acaricide

Numbering system

CAS number:518-75-2

MDL number:MFCD00006912

EINECS number:208-257-2

RTECS number:DJ2275000

BRN number:5282243

PubChem ID:None

Physical property data

1. Characteristics: Undetermined

2. Density (g/ cm3, 25/4℃): Undetermined

3. Relative Vapor density (g/cm3, air=1): Undetermined

4. Melting point (ºC): 175

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

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point ( ºF): Undetermined

9. Specific optical 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 (octanol/ Log value of the distribution coefficient of water): Undetermined

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

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

19. Solubility: Soluble in methanol, ethanol, acetone, ethyl acetate, benzene, n-hexane, etc.

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 61.73

2. Molar volume (cm3/mol): 181.5

3. Isotonic specific volume (90.2K ): 496.4

4. Surface tension (dyne/cm): 55.9

5. Polarizability (10-24cm3): 24.47

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptorsAmount: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 11

6. Topological molecule polar surface area ( TPSA): 83.8

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 532

10. The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 2

12. The number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Store at 1.2-8°C in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. It is a metabolite of the actinomycete Streptomyces hygroscopicus var.aureolacrimosus isolated from soil in 1974 by Sankyo Co., Ltd. of Japan. Its products are produced by culturing, fermenting and processing bacteria.

Purpose

1. Microbial source insecticide and acaricide has the same mode of action as abamectin, but citrinin has a narrower insecticidal spectrum. It is mainly used to control various harmful mites on fruit trees (such as citrus, etc.). It is highly effective against spider mites and panonychus mites, but has poor activity against eggs. The recommended dosage for preventing and treating mites is 5.6-28g/hm2. Adding mineral oil to the preparation can increase the permeability and improve the ovicidal activity against mite eggs.

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Methyl difluoroacetate

Methyl difluoroacetate structural formula

Methyl difluoroacetate structural formula

Structural formula

Business number 04TA
Molecular formula C3H4F2O2
Molecular weight 110.06
label

Methyl difluoroacetate,

METHYL DIFLUOROACETATE,

ART-CHEM-BB B020262,

DIFLUOROACETIC ACID METHYL ESTER,

AKOS B020262,

Acetic acid, difluoro-, methyl ester,

ethanoic acid,difluoro-,methylester,

Methyldifluoroacetate,99%,

Methyl difluoroacetate 99%

Numbering system

CAS number:433-53-4

MDL number:MFCD00039276

EINECS number:207-089-7

RTECS number:None

BRN number:1747534

PubChem number:24857822

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): Not available


Relative Vapor density (g/mL, air=1)Not available


Melting point (ºC): Not available


Boiling point (ºC , normal pressure):Not available


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: Not available


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


oil and water Log value of the (octanol/water) partition coefficient:Not available


Explosion Upper limit (%, V/V): Not available


Explosion Lower limit (%, V/V): Not available


Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1 Molar refractive index:18.00


2 Molar volumem3/mol)92.8


3 Isotonic specific volume (90.2K):192.6


4 Surface tensiondyne/cm)18.5


5 Polarizability(10-24cm37.13

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 71.3

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

Resource:allhdi.com

Methyl perfluorooctanoate

Perfluorooctanoic acid methyl ester structural formula

Perfluorooctanoic acid methyl ester structural formula

Structural formula

Business number 04KM
Molecular formula C9H3F15O2
Molecular weight 428.09
label

Pentafluorooctanoic acid methyl ester,

Methyl perfluorooctanoate,

Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate,

Methyl pentadecafluorooctanoate,

CF3(CF2)6CO2CH3,

aliphatic compounds

Numbering system

CAS number:376-27-2

MDL number:C9H3F15O2

EINECS number:C9H3F15O2

RTECS number:None

BRN number:C9H3F15O2

PubChem number:24865377

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.786

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 159-160

Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.305

Flash point (ºC): Not available

Specific rotation (º): Not available Use

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Oil and water (octanol/water ) Logarithmic value of distribution coefficient: Not available

Explosion upper limit (%, V/V): Not available

Explosion lower limit (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 47.73

2. Molar volume (cm3/mol): 262.6

3. Isotonic specific volume (90.2K ): 523.2

4. Surface tension (dyne/cm): 15.7

5. Polarizability (10-24cm3): 18.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 17

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 546

10. Isotopic atomsQuantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,3-diaminopentane

1,3-diaminopentane structural formula

1,3-diaminopentane structural formula

Structural formula

Business number 0602
Molecular formula C5H14N2
Molecular weight 102.18
label

1,3-Pentanediamine,

Dytek EP diamine,

1,3-Pentanediamine,

CH3CH2CH(NH2)CH2CH2NH2

Numbering system

CAS number:589-37-7

MDL number:MFCD00134550

EINECS number:None

RTECS number:None

BRN number:6796726

PubChem number:24863830

Physical property data

1. Physical property data

1. Boiling point (ºC, normal pressure): 64°C

2. Density: 0.855g/mL at 25 °C (lit.

3. Melting point (ºC): -121

4. Refractive index: n20/D 1.452(lit.)

5. Flash point (ºC): 138 °F

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 32.24

2. Molar volume (cm3/mol) 118.8

3. Isotonic specific volume (90.2K) : 286.5

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10-24cm3): 12.78

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 37.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Resource:allhdi.com

3-Benzylidene phthalide

3-Benzylidene phthalide structural formula

3-Benzylidene phthalide structural formula

Structural formula

Business number 05V0
Molecular formula C10H15O2
Molecular weight 222.24
label

Phthalide anhydride,

benzylidene phthalide,

benzylidene,

benzyl phthalolactone,

3-Benzylidenephthalide,

Medicine

Numbering system

CAS number:575-61-1

MDL number:MFCD00005929

EINECS number:209-388-8

RTECS number:TI3686000

BRN number:None

PubChem number:24891615

Physical property data

1. Physical property data


1. Character: Prismatic crystal


2. melting point10899-102

Toxicological data

None yet

Ecological data

None yet

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 66.19


2. Molar volume (m3/mol):173.8


3. isotonic specific volume (90.2K):475.7


4. Surface Tension (dyne/cm):56.0


5. Polarizability10-24cm3):26.24

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameters Calculate reference value (XlogP):3.5


2. Hydrogen Bonding Number of donors:0


3. Hydrogen Bonding Number of receptors: 2


4. Rotatable Number of chemical bonds: 1


5. Topological molecules Polar surface area (TPSA):26.3


6. Heavy atoms Quantity: 17


7. Surface charge :0


8. Complexity :326


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:0


11. Uncertain number of atomic stereocenters:1


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


13, Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 1

Properties and stability

1. Properties: Prismatic crystal.

Storage method

Synthesis method

2. Preparation method:



Obtained from the condensation of phthalic anhydride and phenylacetic acid. Phthalic anhydride, phenylacetic acid and water



Sodium acetate is heated together for a reaction, and the temperature gradually rises to240Here



Reaction at temperature2-3h, cool the reactants to 14095%


In ethanol, reflux1h, cool and crystallize, filter and dry to obtain benzyl


base phthalein.

Purpose

3. Uses: pharmaceutical intermediates.

Resource:allhdi.com

4-Chloro-1,2-difluorobenzene

4-chloro-1,2-difluorobenzene structural formula

4-chloro-1,2-difluorobenzene structural formula

Structural formula

Business number 07AR
Molecular formula C6H3ClF2
Molecular weight 148.54
label

1-Chloro-3,4-difluorobenzene,

1-Chloro-3,4-difluorobenzene,

3,4-Difluorochlorobenzene,

aromatic compounds

Numbering system

CAS number:696-02-6

MDL number:MFCD00042572

EINECS number:000-000-0

RTECS number:None

BRN number:2081081

PubChem number:24870515

Physical property data

1. Character: liquid.


2. Density (g/mL,25/4): 1.33


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


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure): 126


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


7. Refractive index: 1.475


8. Flashpoint (ºC): 56


9. Specific optical 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 (octanol/Logarial value of the partition coefficient of water: undetermined


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


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


19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 31.13


2. Molar volumem3/ mol109.8


3. isotonic ratio90.2K257.3


4. Surface Tensiondyne/cm30.1


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability:12.34

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

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

Keep away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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