diphenylcarbinol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:91-01-0

MDL number:MFCD00004488

EINECS number:202-033-8

RTECS number:DC7452000

BRN number:1424379

PubChem number:24866820

Physical property data

1. Properties: Colorless needle-like crystals.

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

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

4. Melting point (ºC): 69

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

6. Boiling point (ºC, 99.84kPa): 298

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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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: Easily soluble in ethanol, ether, chloroform and carbon disulfide, At 20°C, 1g of product is soluble in 2000ml of water and almost insoluble in cold crude gasoline.

Toxicological data

Acute toxicity:

Oral LD50 5mg/kg(rat)

Skin LD50 >5mg/kg(rbt)

Skin irritation mild unknown mg ( rbt)

Eye irritation mild unknown mg (rbt)

Main irritating effects:

On skin: May cause inflammation

On eyes: May cause inflammation

Sensitization: May cause sensitization through skin contact

Ecological data

General remarks

Water hazard class 1 (German regulations) (self-assessment via list) The substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.��

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 57.10

2. Molar volume (cm³/mol): 167.0

3. Isotonic specific volume (90.2K ): 433.7

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10-24cm3): 22.63

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 137

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

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

Storage method

None

Synthesis method

1. Preparation method:

In a 1L reaction bottle equipped with a stirrer, thermometer and reflux condenser, add 50g of benzophenone (2) (0.275moPl), 500mL (95%) of ethanol, 50g of sodium hydroxide and 50g of zinc powder (0.76mol ), stir vigorously, and slowly raise the temperature to about 70°C. After 3 hours, lower the temperature, filter, and wash the filter residue twice with hot 95% ethanol (the remaining zinc powder cannot become dry to avoid catching fire). Pour the filtrate into 2L ice water and acidify it with 100mL concentrated hydrochloric acid to precipitate a white solid. After suction filtration and drying in the air, 49g of crude product benzyl alcohol was obtained, mp65°C. Recrystallize with 50 mL of hot ethanol, cool in an ice-salt bath, filter the precipitated colorless solid, and dry to obtain pure benzyl alcohol ^①(1) 36g, mp68°C. Some products can be recovered from the mother liquor. Note: ① Benzophenone can also be prepared by reducing benzophenone with sodium borohydride in 95% ethanol, with a yield of about 90%. ^[1]

Purpose

Used in organic synthesis. ​