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4-Bromobenzhydrol

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Name

4-Bromobenzhydrol

EINECS 249-568-3
CAS No. 29334-16-5 Density 1.436 g/cm3
PSA 20.23000 LogP 3.53080
Solubility N/A Melting Point 61 °C
Formula C13H11BrO Boiling Point 381.5 °C at 760 mmHg
Molecular Weight 263.134 Flash Point 184.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 37/38-41-51/53
Molecular Structure Molecular Structure of 29334-16-5 (4-BROMOBENZHYDROL) Hazard Symbols IrritantXi
Synonyms

Benzhydrol,4-bromo- (8CI);Benzohydrol, 4-bromo- (4CI);(4-Bromophenyl)phenylmethanol;4-(1-Hydroxybenzyl)bromobenzene;p-Bromobenzhydrol;a-(4-Bromophenyl)benzenemethanol;

Article Data 110

4-Bromobenzhydrol Specification

The Benzenemethanol,4-bromo-a-phenyl-, with the CAS registry number 29334-16-5, is also known as p-Bromobenzhydryl alcohol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. Its EINECS registry number is 249-568-3. This chemical's molecular formula is C13H11BrO and molecular weight is 263.12984. Its IUPAC name is called (4-bromophenyl)-phenylmethanol.

Physical properties of Benzenemethanol,4-bromo-a-phenyl-: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 275.3; (5)ACD/BCF (pH 7.4): 275.3; (6)ACD/KOC (pH 5.5): 1940.96; (7)ACD/KOC (pH 7.4): 1940.96; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 64.79 cm3; (13)Molar Volume: 183.2 cm3; (14)Surface Tension: 48.7 dyne/cm; (15)Density: 1.435 g/cm3; (16)Flash Point: 184.5 °C; (17)Enthalpy of Vaporization: 66.43 kJ/mol; (18)Boiling Point: 381.5 °C at 760 mmHg; (19)Vapour Pressure: 1.68E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromo-benzophenone. This reaction will need reagent sodium borohydride.

Uses of Benzenemethanol,4-bromo-a-phenyl-: it can be used to produce 4-bromo-benzhydryl chloride at temperature of 25 °C. This reaction is a kind of Chlorination. It will need reagent SOCl2 and solvent CH2Cl2 with reaction time of 1 hour. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. This chemical is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O
(2)InChI: InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
(3)InChIKey: WTIWDBNPPSHSCB-UHFFFAOYSA-N

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