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| CAS No.: | 91-01-0 |
|---|---|
| Name: | Benzhydrol |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 20.23000 |
| LogP: | 2.76830 |
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| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
- 91-01-0
1,1-Diphenylmethanol
| Conditions | Yield |
|---|---|
| With water | 100% |
- 79373-25-4
2-(diphenylmethyloxy)tetrahydro-2H-pyran
- 91-01-0
1,1-Diphenylmethanol
| Conditions | Yield |
|---|---|
| With bismuth(lll) trifluoromethanesulfonate In methanol for 0.05h; Heating; | 99% |
| silica-supported prop-1-ylsulfonic acid In methanol | 99.9% |
| With methanol; zirconium(IV) chloride at 20℃; for 4h; | 98% |
| Conditions | Yield |
|---|---|
| at 290℃; for 3h; | A 99% B 60% C 75% |
| Conditions | Yield |
|---|---|
| With dimethyl zinc(II); sodium hydride In tetrahydrofuran; hexane for 12h; Ambient temperature; | A 99% B 1% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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: 
Xi
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.