p-hydroxybiphenyl

P-Hydroxybiphenyl Structural Formula

Structural formula

Business number 0251
Molecular formula C12H10O
Molecular weight 170
label

phenylphenol,

(1,1′-diphenyl)-4-phenol,

4-Hydroxybiphenyl,

4-Hydroxybiphenyl,

4-Hydroxy-1,1′-biphenyl,

p-Biphenylol,

p-Hydroxydiphenyl,

Paraxenol

Numbering system

CAS number:92-69-3

MDL number:MFCD00002347

EINECS number:202-179-2

RTECS number:DV5850000

BRN number:1907452

PubChem number:24866580

Physical property data

1. Properties: White needle-like or flaky solid.

2. Density (g/mL, 20/4?): 1.111

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

4. Melting point (ºC): 164.5

5. Boiling point (ºC, normal pressure): 306.5

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

p>

7. Refractive index: Undetermined

8. Flash point (ºC): 165

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) distribution coefficient: Undetermined

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

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

19. Solubility: Almost insoluble in water, soluble in ethanol, ether, acetone, Soluble in alkaline solution.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General Notes

Do not allow this product to come into contact with groundwater, waterways or sewage systems.

Water hazard class 2 (German Regulation) (self-assessment via list) The substance is hazardous to water.

Even small amounts of product seeping into the ground can pose a hazard to drinking water.

It is also harmful to fish and plankton in water bodies

If there is no governmentDo not discharge materials into the surrounding environment if permitted.

Toxic to organic matter in water.

Molecular structure data

1. Molar refractive index: 52.72

2. Molar volume (cm3/mol): 153.1

3. Isotonic specific volume (90.2K ): 395.6

4. Surface tension (dyne/cm): 44.5

5. Polarizability (10-24cm3): 20.90

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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. It can be sublimated, so you should wear protective clothing when using it.

2. Exist in smoke.

Storage method

Should be sealed and stored away from light.

Synthesis method

Using the by-product distillation residue of phenol produced by the sulfonation method as raw material, the phenylphenol fraction is intercepted through vacuum distillation, and then the difference in solubility of o-phenylphenol and p-phenylphenol in trichlorethylene is used to realize the isomerization separation. It can also be obtained by hydrolysis of p-chlorobiphenyl at high temperatures.

Purpose

Used as dye; intermediate for resin and rubber. The red light sensitizing and green light sensitizing dyes synthesized by this product are one of the main raw materials for color films and are also used as analytical reagents. Colorimetric determination of acetaldehyde and lactic acid, quantitative determination of muramic acid. Inhibitor of deoxyribonuclease I. Intermediates for dyes, resins and rubbers, fungicides, solubilizers for water-soluble paints.

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4-bromobiphenyl

4-bromobiphenyl structural formula

Structural formula

Business number 0250
Molecular formula C12H9Br
Molecular weight 233
label

None

Numbering system

CAS number:92-66-0

MDL number:MFCD00000100

EINECS number:202-176-6

RTECS number:DV1750100

BRN number:1907453

PubChem number:24862807

Physical property data

1. Properties: Colorless flaky crystals. Slightly aromatic smell.

2. Density (g/mL, 25/4?): 0.9327

3. Gas phase standard entropy (J·mol-1·K-1): 440.2

4. Melting point (ºC): 191..5

5. Boiling point (ºC, normal pressure): 310

6. Gas phase standard hot melt (J·mol-1·K-1): 186.5

7. Refractive index: Not available Determined

8. Flash point (ºC): 144

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

p>

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Soluble in ethanol, ether, carbon disulfide, benzene, carbon tetrachloride and acetone, slightly soluble in acetic acid, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.53

2. Molar volume (cm3/mol): 170.9

3. Isotonic specific volume (90.2K ): 431.1

4. Surface tension (dyne/cm): 40.4

5. Polarizability (10-24cm3): 23.20

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: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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

It is obtained from p-bromoaniline through the following reaction. Cool water, p-bromoaniline and concentrated hydrochloric acid together, keep it at 0-5°C, slowly add sodium nitrite aqueous solution, and carry out diazotization until the starch potassium iodide test paper turns blue, and filter out the clear diazo liquid. Add benzene to the diazo liquid and stir at 5-10°C for half an hour. At the same time, slowly add sodium hydroxide solution dropwise. After the addition, continue stirring for 3 hours, and then stir at room temperature for 45 hours. Separate the benzene layer, wash it with water, steam out the benzene and conduct vacuum distillation. Collect the 170-175°C (1.06kPa) fraction and recrystallize it with ethanol to obtain a finished product with a melting point of 90°C.

Purpose

Used in organic synthesis. Pharmaceutical intermediates.

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N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline

N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline structural formula

Structural formula

Business number 024Z
Molecular formula C11H14N2O
Molecular weight 190.24
label

N-(2-cyanoethyl)-N-hydroxyethylaniline,

3-[(2-hydroxyethyl)phenylamino]propionitrile,

N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline,

N-Cyanoethyl-hydroxyethyl aniline

Numbering system

CAS number:92-64-8

MDL number:MFCD00035705

EINECS number:202-174-5

RTECS number:UG2905000

BRN number:2369849

PubChem number:24874374

Physical property data

1. Properties: Oily liquid.

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

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

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Not determined Determined

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. Saturation 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: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.91

2. Molar volume (cm3/mol): 167.8

3. Isotonic specific volume (90.2K ): 453.6

4. Surface tension (dyne/cm): 53.3

5. Polarizability (10-24cm3): 22.16

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: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 47.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 191

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12.??Determine the number of atomic stereocenters: 0

13. Determine the 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

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Used in the production of dyes such as Disperse Red S-FL and Disperse Red 3GFL.

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