BDMAEE – Page 86

triphenylsulfonium tetrafluoroborate

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TT
Molecular formula	C18H15BF4S
Molecular weight	350.18
label	triphenylsulfonium tetrafluoroborate, TRIPHENYLSULFONIUM TETRAFLUOROBORATE

Numbering system

CAS number:437-13-8

MDL number:None

EINECS number:260-132-1

RTECS number:None

BRN number:None

PubChem ID:None

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): 194

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

None yet

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: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 221

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: 2

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2-(Trifluoromethyl)benzyl alcohol

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	07FQ
Molecular formula	C14H11F3O
Molecular weight	252.23
label	CF3C6H4CH(OH)C6H5, aromatic compounds

Numbering system

CAS number:727-98-0

MDL number:MFCD00014396

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24878361

Physical property data

1. Character: Undetermined

2. Density (g/mL,25/4℃):1.311

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):273-274

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

7. Refractive index:1.537

8. Flashpoint (ºC): >110

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 (water): undetermined

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

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

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 62.08

2. Molar volume（m³/ mol）：200.6

3. isotonic ratio（90.2K)：490.9

4. Surface Tension(dyne/cm)：35.8

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 24.61

Compute chemical data

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

2. Number of hydrogen bond donors: 1

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 20.2

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 258

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

N,N-phenylacetamide

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	05CJ
Molecular formula	C14H13NO
Molecular weight	211.26
label	acetyl diphenylamide, N,N-Diphenylacetamide, N-acetyl diphenylamine, N-phenylacetanilide, N-Acetyl-O-biphenylamide, N-Acetyldiphenylamine, N-Phenylacetanilide

Numbering system

CAS number:519-87-9

MDL number:None

EINECS number:None

RTECS number:AB8133000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White crystalline powder, which can sublimate without decomposing.

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

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

4. Melting point (ºC): 103

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

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 ethanol and ether, slightly soluble in water .

Toxicological data

Acute toxicity: Mouse intraperitoneal LD50: 600mg/kg, no details except lethal dose;

Ecological data

519-87-9

Molecular structure data

1. Molar refractive index: 64.99

2. Molar volume (cm³/mol): 187.6

3. Isotonic specific volume (90.2K ): 488.6

4. Surface tension (dyne/cm): 45.9

5. Polarizability (10^-24cm³): 25.76

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: 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: 16

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

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

Storage method

Stored in a cool, dry place away from light.

Synthesis method

None yet

Purpose

1. Organic synthesis. Dye intermediates.

Resource:allhdi.com

2-Acetylbenzoic acid

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	05VE
Molecular formula	C9H8O3
Molecular weight	164.16
label	2-acetylbenzoic acid, Acetophenone-2-carboxylic acid, o-acetylbenzoic acid, 3-Hydroxy-3-methylphthalide, Acetophenone-2-carboxylic acid, aromatic compounds

Numbering system

CAS number:577-56-0

MDL number:MFCD00002475

EINECS number:209-413-2

RTECS number:None

BRN number:1210557

PubChem number:24890523

Physical property data

1. Properties: needle-like crystals.

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

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

4. Melting point (ºC): 114.5

5. Boiling point (ºC, normal pressure): 111²

6. Boiling point (ºC ,0.27kPa): 110-112

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation Degree (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. 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: Dissolved in Ethanol and hot water, slightly soluble in water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 43.21

2. Molar volume (cm³/mol): 133.4

3. Isotonic specific volume (90.2K ): 354.5

4. Surface tension (dyne/cm): 49.7

5. Polarizability (10^-24cm³): 17.13

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5.��Number of isomers: 2

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 198

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Seal and save.

Synthesis method

None yet

Purpose

1. Condensation reaction with amino acids for cyclization. Fused ring compounds are synthesized through cyclization. Isoindoline derivatives are prepared via reductive amination. Condensation reaction with amino acids to synthesize bicyclic oxazolidinones.

Resource:allhdi.com

5-fluoroquinolin-4-ol

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TS
Molecular formula	C8H5FN2O
Molecular weight	164.14
label	5-fluoroquinolin-4-ol, 5-fluoro-4-quinazolone, 5-FLUOROQUINAZOLIN-4-OL, 5-FLUORO-4-HYDROXYQUINAZOLINE, 5-FLUORO-4-HYDROXYQUNIAZOLINE, 3,4-Dihydro-5-fluoro-4-oxoquinazoline, 5-Fluoroquinazolin-4(3H)-one, 3,4-Dihydro-5-fluoro-4-oxoquinazoline 98%, 5-Fluoro-4-hydroxyquinazoline 97%, 5-Fluoro-4-hydroxyquinazolin

Numbering system

CAS number:436-72-6

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

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): 238

Boiling point (ºC, often Press):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:42.15

2、 Molar volume（m³/mol)：112.6

3、 Isotonic specific volume (90.2K):321.5

4、 Surface tension（dyne/cm)：66.4

5、 Polarizability(10^-24cm³）：16.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 41.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 229

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

triphenylmethane

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	05CH
Molecular formula	C19H16
Molecular weight	244.33
label	1,1′,1”-Methyl triphenyl, triphenylmethane, Benzhydrylbenzene

Numbering system

CAS number:519-73-3

MDL number:MFCD00004763

EINECS number:208-275-0

RTECS number:None

BRN number:1909753

PubChem ID:None

Physical property data

1. Character: light yellow liquid

2. Density (g/ cm³, 25/4℃): 1.148

3. Relative Density (25℃, 4℃): 1.0139⁹⁹

4. Melting point (ºC): 94

5. Boiling point (ºC, normal pressure): 358

6. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^-1): -7396.5

7. Refractive index: 1.59546

8. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -10034.5

9. Gas phase standard claimed heat (enthalpy) (kJ· mol^-1): 271.2

10. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): 172.4

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

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

13. Heat of combustion (KJ/mol ): 58.2

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: 5.69

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

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

19. Solubility: Hardly soluble in water

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: 79.96

2. Molar volume (cm³/mol): 232.6

3. Isotonic specific volume (90.2K ): 591.2

4. Surface tension (dyne/cm): 41.6

5. Polarizability (10^-24cm³): 31.70

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: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 196

10. Number of isotope atoms: 0

11. OKNumber of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The 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 2-8°C

Synthesis method

None yet

Purpose

Used in dye synthesis and also used as gas chromatography stationary solutionUsed in organic synthesis

Resource:allhdi.com

Tryptamine hydrochloride

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04AZ
Molecular formula	C10H13ClN2
Molecular weight	196.68
label	2-(3-indole)ethylamine hydrochloride, 3-(2-Aminoethyl)indole hydrochloride, C10H12N2 · HCl, 2-(3-INDOLYL)ETHYLAMINE HYDROCHLORIDE, 1h-indole-3-ethanamine,monohydrochloride, 3-(2-aminoethyl)-indolmonohydrochloride, heterocyclic compounds, amine, indole

Numbering system

CAS number:343-94-2

MDL number:MFCD00012682

EINECS number:206-446-4

RTECS number:NL4375000

BRN number:3568419

PubChem number:24889915

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): 253-255

Boiling point (ºC, normal pressure):No Use

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

Solubility: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: 51.61

2. Molar volume (m³/mol）：138.3

3. isotonic specific volume (90.2K):376.3

4. Surface tension (dyne/cm):54.7

5. Polarizability（10^-24cm³):20.46

Compute chemical data

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

2. Number of hydrogen bond donors: 3

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 41.8

7. Number of heavy atoms: 13

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: 2

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

5-formylsalicylic acid

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	06HM
Molecular formula	C8H6O4
Molecular weight	166.13
label	5-furansalicylic acid, 2-Hydroxy-5-formylbenzoic acid, 2-Hydroxy-5-formylbenzoic acid, HCOC6H3-2-(OH)CO2H

Numbering system

CAS number:616-76-2

MDL number:MFCD00006945

EINECS number:210-492-0

RTECS number:None

BRN number:2640881

PubChem number:24894794

Physical property data

1. Physical property data

1. Melting point (ºC): 250ºC

Toxicological data

None yet

Ecological data

3. 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

5. Molecular property data:

1, Molar refractive index:41.81

2, Molar volume (m³/mol):112.0

3, Isotonic specific volume (90.2K ):329.4

4, Surface tension (dyne/cm):74.7

5、 Polarizability (10^-24cm³): 16.57

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: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 6

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 190

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

Resource:allhdi.com

1-Bromo-2-nitrobenzene

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	05VD
Molecular formula	C6H4BrNO2
Molecular weight	202.01
label	2-Nitrobromobenzene, o-Nitrobromobenzene, o-Bromonitrobenzene, 2-nitrobromobenzene, aromatic compounds

Numbering system

CAS number:577-19-5

MDL number:MFCD00007045

EINECS number:209-409-0

RTECS number:CY9040450

BRN number:2044109

PubChem number:24850607

Physical property data

1. Character: yellow crystal^[1]

2. Melting point (℃): 40~42^[2]

3. Boiling point (℃): 261^[3]

4. Relative density (water=1): 1.62^[4]

5. Saturated vapor pressure (kPa): 100.77 (258℃)^[5]

6. Octanol/water partition coefficient: 2.52^[6]

7. Flash point (℃): >110^[7]

8. Solubility: insoluble in cold water, Soluble in hot water and most organic solvents such as ethanol, ether, acetone, and benzene. ^[8]

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 40.48

2. Molar volume (cm³/mol): 117.4

3. Isotonic specific volume (90.2K ): 313.2

4. Surface tension (dyne/cm): 50.5

5. Polarizability (10^-24cm³): 16.05

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 45.8

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 134

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. Stability^[9] Stable

2. Incompatible substances^[10] Strong oxidizing agent, strong reducing agent, strong alkali

3. Conditions to avoid contact^[11] Heating

4. Polymerization hazard^[12] No polymerization

5. Decomposition products^[13]Nitrogen oxides, hydrogen bromide

Storage method

Storage Precautions^[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, reducing agents, alkalis, 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

Prepared from o-nitroaniline through the following steps. Cool the mixture of o-nitroaniline and sulfuric acid to 0-5°C, and slowly add sodium nitrite aqueous solution with stirring until the reaction starch potassium iodide test paper turns blue. The obtained diazonium salt solution was slowly added to the copper bromide solution at 40°C while stirring. After cooling, extract with diethyl ether, wash the extract with alkali solution, hydrochloric acid solution and water, and then recover the diethyl ether to obtain the product. The yield is about 70%.

Purpose

Used in organic synthesis. ^[15]

Resource:allhdi.com

decafluorobiphenyl

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TR
Molecular formula	C12F10
Molecular weight	334.11
label	decafluorobiphenyl, perfluorobiphenyl, DECAFLUOROBIPHENYL, PERFLUOROBIPHENYL, 1,1′-Biphenyl,decafluoro-, 2,2′,3,3′,4,4′,5,5′,6,6′-Decafluoro-1,1′-biphenyl, Biphenyl, decafluoro-, decafluoro-1,1’-biphenyl, Perfluorodiphenyl, DECAFLUOROBIPHENYL, 1000MG, NEAT

Numbering system

CAS number:434-90-2

MDL number:MFCD00000292

EINECS number:207-107-3

RTECS number:None

BRN number:1916978

PubChem number:24887127

Physical property data

1. Physical property data

Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -1264.2

Density (g/mL, 25/4℃): 1.785

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

Melting point (ºC): 68

Boiling point (ºC, normal pressure): 206

Boiling point (ºC, 5.2kPa): Not available

Refractive index: Not available

Flash point (ºC): 206

p>

Specific optical rotation (º): Not available

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

Log value of oil-water (octanol/water) partition coefficient: not available

Explosion upper limit (%, V/V): not available Use

Lower explosion 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: 50.78

2. Molar volume (cm³/mol): 196.8

3. Isotonic specific volume (90.2K ): 451.8

4. Surface tension (dyne/cm): 27.7

5. Polarizability (10^-24cm³): 20.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 326

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

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Synthesis method

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Purpose

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Resource:allhdi.com