CAS No.52780-14-0,3-BROMO-ALPHA-METHYLBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	52780-14-0
Name:	3-BROMO-ALPHA-METHYLBENZYL ALCOHOL
Article Data:	244

Formula:	C₈H₉BrO
Molecular Weight:	201.063
Synonyms:	Benzylalcohol, m-bromo-a-methyl-(6CI);1-(3-Bromophenyl)ethanol;3-Bromo-a-methylbenzenemethanol;3-Bromophenylmethylcarbinol;NSC 143363;
EINECS:	258-177-7
Density:	1.47 g/cm³
Boiling Point:	264.2 °C at 760 mmHg
Flash Point:	113.6 °C
Risk Codes:	10
Safety:	16
Transport Information:	UN 1987
PSA:	20.23000
LogP:	2.50240

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Specification

The Benzenemethanol,3-bromo-a-methyl-, with CAS registry number 52780-14-0, belongs to the following product categories: (1)Bromine Compounds; (2)Phenols. It has the systematic name of 1-(3-bromophenyl)ethanol. This chemical is flammable, so keep it away from sources of ignition. And the chemical formula of this chemical is C₈H₉BrO. What's more, its EINECS is 258-177-7.

Physical properties of Benzenemethanol,3-bromo-a-methyl-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.52; (6)ACD/BCF (pH 7.4): 25.52; (7)ACD/KOC (pH 5.5): 353.68; (8)ACD/KOC (pH 7.4): 353.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 45.03 cm³; (15)Molar Volume: 136.6 cm³; (16)Polarizability: 17.85×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 53.04 kJ/mol; (21)Boiling Point: 264.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00495 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(3-bromo-phenyl)-ethanone. This reaction will need reagent LiAlH₄.

Uses of Benzenemethanol,3-bromo-a-methyl-: it can be used to produce 1-(3-bromo-phenyl)-ethanone. This reaction will need reagents N₂O₄, CHCl₃.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)C(O)C
(2)InChI: InChI=1/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
(3)InChIKey: ULMJQMDYAOJNCC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
(5)Std. InChIKey: ULMJQMDYAOJNCC-UHFFFAOYSA-N