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Basic Information
CAS No.: 91-01-0
Name: Benzhydrol
Molecular Structure:
Molecular Structure of 91-01-0 (Benzhydrol)
Formula: C13H12O
Molecular Weight: 184.238
Synonyms: Benzhydrol(8CI);1,1-Diphenylmethanol;Benzhydryl alcohol;Benzohydrol;Diphenylcarbinol;Diphenylmethanol;Diphenylmethyl alcohol;Hydroxydiphenylmethane;NSC 32150;a-Phenylbenzenemethanol;a-Phenylbenzyl alcohol;
EINECS: 202-033-8
Density: 1.102 g/cm3
Melting Point: 65-67 °C(lit.)
Boiling Point: 299 °C at 760 mmHg
Flash Point: 140.8 °C
Solubility: Slightly soluble in water.
Appearance: off-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
PSA: 20.23000
LogP: 2.76830
Synthetic route
119-61-9

benzophenone

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With zinc(II) tetrahydroborate In acetonitrile for 16h; Mechanism; Ambient temperature;100%
With zinc(II) tetrahydroborate In acetonitrile for 16h; Ambient temperature;100%
With samarium; 1,2-Diiodoethane In 1,2-dimethoxyethane for 24h; Ambient temperature;100%
100-52-7

benzaldehyde

100-58-3

phenylmagnesium bromide

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
In diethyl ether at 0 - 20℃; Inert atmosphere;100%
With (5-(1,3-dimethylhexahydropyrimidin-2-yl)furan-2-yl)methanol In tetrahydrofuran at 0 - 20℃; for 12h;70%
Inert atmosphere;60%

C52H44BO4(1-)*Na(1+)

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With water100%
79373-25-4

2-(diphenylmethyloxy)tetrahydro-2H-pyran

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.05h; Heating;99%
silica-supported prop-1-ylsulfonic acid In methanol99.9%
With methanol; zirconium(IV) chloride at 20℃; for 4h;98%

trans-1,2-bis(hydroxydiphenylmethyl)indan

A

119-61-9

benzophenone

B

91-01-0

1,1-Diphenylmethanol

C

95-13-6

1-indene

Conditions
ConditionsYield
at 290℃; for 3h;A 99%
B 60%
C 75%
119-61-9

benzophenone

A

91-01-0

1,1-Diphenylmethanol

B

599-67-7

1,1-diphenylethanol

Conditions
ConditionsYield
With dimethyl zinc(II); sodium hydride In tetrahydrofuran; hexane for 12h; Ambient temperature;A 99%
B 1%
100-52-7

benzaldehyde

98-80-6

phenylboronic acid

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With cesium fluoride; bis(η3-allyl-μ-chloropalladium(II)) In 1,4-dioxane at 80℃; for 0.333333h;99%
With potassium tert-butylate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; dirhodium(II) tetrakis(perfluorobutyrate) In tert-Amyl alcohol at 60℃; for 1h;99%
With chlorobis(cyclooctene)rhodium(I) dimer; α-Oxo-phenylmethan-diphenylphosphin; sodium carbonate In water; toluene at 60℃; Reagent/catalyst; Temperature; Solvent; Schlenk technique; Inert atmosphere;99%
119-61-9

benzophenone

A

91-01-0

1,1-Diphenylmethanol

B

464-72-2

tetraphenylethane-1,2-diol

Conditions
ConditionsYield
With LiCrH4*2LiCl*2THF In tetrahydrofuran at 25℃; for 12h;A 98%
B 2%
With triethylamine; cadmium(II) sulphide In methanol for 6h; Irradiation;A 88%
B 11%
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran at 20℃; for 0.25h;A 88%
B 4%
32343-98-9

n-butyl(phenyl)tellane

100-52-7

benzaldehyde

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With butyl magnesium bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 6h;98%
14629-59-5

diphenylmethyl trimethylsilyl ether

91-01-0

1,1-Diphenylmethanol

Conditions
ConditionsYield
With copper(II) nitrate In acetonitrile at 20℃; for 15h; deprotection;98%
With bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 0.0333333h;98%
montmorillonite K-10 for 0.0833333h; Solid phase reaction; desilylation; microwave irradiation;97%
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Chemistry

IUPAC Name: Diphenylmethanol
Synonyms of of Benzhydrol (CAS NO.91-01-0): A-Phenylbenzenemethanol ; A-Phenylbenzyl Alcohol ; Benzenemethanol, .alpha.-phenyl- ; Benzenemethanol, alpha-phenyl-
Molecular Structure: 
Molecular Formula: C13H12O
Molecular Weight: 184.24
CAS NO: 91-01-0
EINECS: 202-033-8
Mol File: 91-01-0.mol
Merck: 14,1090
BRN : 1424379 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.599
Molar Refractivity: 57.1 cm3
Molar Volume: 167 cm3
Surface Tension: 45.3 dyne/cm
Density: 1.102 g/cm3
Flash Point: 140.8 °C
Enthalpy of Vaporization: 56.91 kJ/mol
Boiling Point: 299 °C at 760 mmHg
Vapour Pressure: 0.000548 mmHg at 25°C
Melting Point: 65-67 °C(lit.)
Appearance: off-white powder
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, acids.
SMILES: OC(c1ccccc1)c2ccccc2
InChI: InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey: QILSFLSDHQAZET-UHFFFAOYAG
Std. InChI: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Std. InChIKey: QILSFLSDHQAZET-UHFFFAOYSA-N
Product Categories of Benzhydrol (CAS NO.91-01-0): Pharmaceutical Intermediates;Intermediates;Benzhydrols, Benzyl & Special Alcohols;API intermediates

Uses

 Benzhydrol (CAS NO.91-01-0) is mainly used in organic synthesis, as benztropine in pharmaceutical industry and intermediates of diphenhydramine.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 2gm/kg (2000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 24, Pg. 405, 1925.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: DC7452000
Hazard Note: Irritant
HS Code: 29062900

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.