Benzenemethanol,3-bromo-2-hydroxy- supplier

Name
2-BROMO-6-(HYDROXYMETHYL)PHENOL
EINECS
CAS No. 28165-46-0
Article Data8
CAS DataBase
Density 1.722 g/cm³
Solubility
Melting Point
Formula C₇H₇BrO₂
Boiling Point 291 °C at 760 mmHg
Molecular Weight 203.035
Flash Point 129.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 40.46000
LogP 1.64700

Benzenemethanol,3-bromo-2-hydroxy- 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

Product Name

2-BROMO-6-(HYDROXYMETHYL)PHENOL

Benzenemethanol,3-bromo-2-hydroxy- Specification

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