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28165-46-0

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Basic Information
CAS No.: 28165-46-0
Name: 2-BROMO-6-(HYDROXYMETHYL)PHENOL
Article Data: 8
Molecular Structure:
Molecular Structure of 28165-46-0 (2-BROMO-6-(HYDROXYMETHYL)PHENOL)
Formula: C7H7BrO2
Molecular Weight: 203.035
Synonyms: Benzylalcohol, 3-bromo-2-hydroxy- (8CI);3-Bromo-2-hydroxybenzenemethanol;3-Bromo-2-hydroxybenzyl alcohol;2-bromo-6-(hydroxymethyl)phenol;2-Bromo-6-(hydroxymethyl)phenol;
Density: 1.722 g/cm3
Boiling Point: 291 °C at 760 mmHg
Flash Point: 129.8 °C
PSA: 40.46000
LogP: 1.64700
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Specification

The Benzenemethanol,3-bromo-2-hydroxy-, with the CAS registry number 28165-46-0, has the systematic name of 2-bromo-6-(hydroxymethyl)phenol. It belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. And the molecular formula of the chemical is C7H7BrO2.

The characteristics of Benzenemethanol,3-bromo-2-hydroxy- are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.59; (6)ACD/BCF (pH 7.4): 5.14; (7)ACD/KOC (pH 5.5): 119.24; (8)ACD/KOC (pH 7.4): 109.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 42.27 cm3; (15)Molar Volume: 117.8 cm3; (16)Polarizability: 16.75×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.722 g/cm3; (19)Flash Point: 129.8 °C; (20)Enthalpy of Vaporization: 56.02 kJ/mol; (21)Boiling Point: 291 °C at 760 mmHg; (22)Vapour Pressure: 0.000918 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1c(CO)cccc1Br
(2)InChI: InChI=1/C7H7BrO2/c8-6-3-1-2-5(4-9)7(6)10/h1-3,9-10H,4H2
(3)InChIKey: VALKLYSDRYWQFI-UHFFFAOYAH