Benzenemethanol,4-bromo-3-methoxy- supplier

Name
2-BROMO-5-HYDROXYMETHYL-ANISOLE
EINECS
CAS No. 17100-64-0
Article Data16
CAS DataBase
Density 1.513 g/cm³
Solubility
Melting Point
Formula C₈H₉BrO₂
Boiling Point 306.8 °C at 760 mmHg
Molecular Weight 217.062
Flash Point 139.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-methoxybenzyl alcohol;Benzylalcohol, 4-bromo-3-methoxy- (8CI);2-Bromo-5-hydroxymethyl-anisole;
PSA 29.46000
LogP 1.95000

Benzenemethanol,4-bromo-3-methoxy- Specification

The CAS register number of Benzenemethanol,4-bromo-3-methoxy- is 17100-64-0. It also can be called as 2-Bromo-5-hydroxymethyl-anisole and the systematic name about this chemical is (4-Bromo-3-methoxyphenyl)methanol. The molecular formula about this chemical is C₈H₉BrO₂ and the molecular weight is 217.06.

Physical properties about Benzenemethanol,4-bromo-3-methoxy- are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 8.44; (5)ACD/BCF (pH 7.4): 8.44; (6)ACD/KOC (pH 5.5): 160.25; (7)ACD/KOC (pH 7.4): 160.25; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.46 Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 47.07 cm³; (14)Molar Volume: 143.4 cm³; (15)Polarizability: 18.66x10^-24cm³; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.513 g/cm³; (18)Flash Point: 139.3 °C; (19)Enthalpy of Vaporization: 57.79 kJ/mol; (20)Boiling Point: 306.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000329 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1Br)CO
(2)InChI: InChI=1/C8H9BrO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
(3)InChIKey: KXUYHKRDJBTPDF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H9BrO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
(5)Std. InChIKey: KXUYHKRDJBTPDF-UHFFFAOYSA-N

Product Name

2-BROMO-5-HYDROXYMETHYL-ANISOLE

Benzenemethanol,4-bromo-3-methoxy- Specification

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