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4-Nitrobiphenyl

5月 16th, 2024 News

4-Nitrobiphenyl Structural Formula

Structural formula

Business number 025H
Molecular formula C12H9NO2
Molecular weight 199.21
label

p-Nitrobiphenyl,

4-biphenylcarboxylic acid,

p-phenylbenzoic acid,

biphenyl monocarboxylic acid,

biphenyl-4-carboxylic acid,

4-bibenzoic acid,

1-Nitro-4-phenylbenzene,

4-Biphenylcarboxylic acid,

4-Phenylbenzoic acid,

Biphenyl-4-carboxylic acid

Numbering system

CAS number:92-93-3

MDL number:None

EINECS number:202-204-7

RTECS number:DV5600000

BRN number:973519

PubChem ID:None

Physical property data

1. Properties: colorless or yellow needle-like crystals

2. Density (g/mL, 25/4?): 1.328

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

4. Melting point (ºC): 113?114

5. Boiling point (ºC, normal pressure): 340

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

19 . Solubility: Insoluble in water, slightly soluble in alcohol, easily soluble in ether, benzene and chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 57.39

2. Molar volume (cm3/mol): 166.5

3. Isotonic specific volume (90.2K ): 436.1

4. Surface tension (dyne/cm): 47.0

5. Polarizability (10-24cm3): 22.75

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 45.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 210

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

Used as dye intermediate and plasticizer.

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4-bibenzoic acid

5月 16th, 2024 News

4-biphenylcarboxylic acid structural formula

Structural formula

Business number 025G
Molecular formula C13H10O2
Molecular weight 198.22
label

4-Phenylbenzoic acid,

4-biphenylcarboxylic acid,

p-phenylbenzoic acid,

biphenyl monocarboxylic acid,

biphenyl-4-carboxylic acid,

4-Biphenylcarboxylic acid,

4-Carboxy-1,1′-biphenyl,

4-Phenylbenzic acid,

4-Carboxydiphenyl,

Biphenyl-4-carboxylic acid

Numbering system

CAS number:92-92-2

MDL number:MFCD00002553

EINECS number:202-203-1

RTECS number:DV1925100

BRN number:973519

PubChem number:24891723

Physical property data

1. Character:Colorless needle crystal-like.


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


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


4. Melting point (ºC): 228


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): 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:Soluble in ethanol, ether and benzene, slightly soluble in hot water, insoluble in cold water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 57.77


2. Molar Volume (m3/mol): 167.2


3. isotonic specific volume (90.2K):442.7


4. Surface Tension (dyne/cm):49.1


5. Polarizability?10-24cm3):22.90

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 211

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 in a cool place.

Synthesis method

It is obtained by reacting biphenyl with chloroacetyl and then oxidizing it with potassium permanganate. Dissolve biphenyl in benzene, slowly add anhydrous aluminum trichloride while stirring, and add chloroacetyl dropwise while slightly boiling. After adding, continue to keep warm and stir 2h. Recover the benzene until it is completely exhausted, and pour the reactant into ice water while it is hot for crystallization. Take the crystal and potassium permanganate in 90?Following reaction, filter, neutralize with hydrochloric acid to pH is 2, and the crude product is obtained. It is then refined through ethanol recrystallization and acid-base precipitation to obtain 4-phenylbenzoic acid.

Purpose

Organic synthesis .

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4-Acetylbiphenyl

5月 16th, 2024 News

4-acetylbiphenyl structural formula

Structural formula

Business number 025F
Molecular formula C14H12O
Molecular weight 196.24
label

4-Phenylacetophenone,

4-Diacetophenone,

benzophenone,

Diphenyl monoethyl ketone,

4-Acetylbiphenyl,

1-((Biphenyl)-4-yl)ethanone,

1-Acetyl-4-phenylbenzene,

2-Mesitylenecarboxylic acid

Numbering system

CAS number:92-91-1

MDL number:MFCD00008749

EINECS number:202-202-6

RTECS number:AM9662502

BRN number:1101615

PubChem number:24845113

Physical property data

1. Characteristics: white flaky crystals.


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


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


4. Melting point ( ºC): 121


5. Boiling point ( ºC,Normal pressure):325-327


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): Not OK


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


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


13. Burn Heat (KJ/mol ): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical Pressure (KPa): Undetermined


16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined


17. Explosion limit (%,V/V): Not OK


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


19. Solubility: Easily soluble in Ethanol and acetone are insoluble in water.


Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 60.87


2. Molar Volume (m3/mol??186.2


3. isotonic specific volume (90.2K):465.8


4. Surface Tension (dyne/cm):39.1


5 , Polarizability(10-24cm3):24.13

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: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 207

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

Save in sealed format.

Synthesis method

None

Purpose

Inhibitor of carotene formation. Organic Synthesis.

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