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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 | Hazard Symbols | Xi | |
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 |
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