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. ​