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Benzenemethanol,3-bromo-a-methyl-

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Name

Benzenemethanol,3-bromo-a-methyl-

EINECS 258-177-7
CAS No. 52780-14-0 Density 1.47 g/cm3
PSA 20.23000 LogP 2.50240
Solubility N/A Melting Point N/A
Formula C8H9BrO Boiling Point 264.2 °C at 760 mmHg
Molecular Weight 201.063 Flash Point 113.6 °C
Transport Information UN 1987 Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 52780-14-0 (3-BROMO-ALPHA-METHYLBENZYL ALCOHOL) Hazard Symbols N/A
Synonyms

Benzylalcohol, m-bromo-a-methyl-(6CI);1-(3-Bromophenyl)ethanol;3-Bromo-a-methylbenzenemethanol;3-Bromophenylmethylcarbinol;NSC 143363;

Article Data 244

Benzenemethanol,3-bromo-a-methyl- 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

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