CAS No.61367-62-2,4-BROMO-3,5-DIMETHOXYBENZYL ALCOHOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61367-62-2
Name:	4-BROMO-3,5-DIMETHOXYBENZYL ALCOHOL
Article Data:	19

Formula:	C₉H₁₁BrO₃
Molecular Weight:	247.089
Synonyms:	4-Bromo-3,5-dimethoxybenzenemethanol;3,5-Dimethoxy-4-bromobenzyl alcohol;(4-Bromo-3,5-dimethoxyphenyl)methanol;
Density:	1.475 g/cm³
Melting Point:	100-102oC
Boiling Point:	348.1 °C at 760 mmHg
Flash Point:	164.4 °C
PSA:	38.69000
LogP:	1.95860

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Specification

The Benzenemethanol,4-bromo-3,5-dimethoxy-, with the CAS registry number 61367-62-2, is also known as 3,5-Dimethoxy-4-bromobenzyl alcohol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. This chemical's molecular formula is C₉H₁₁BrO₃ and molecular weight is 247.09. What's more, its systematic name is (4-bromo-3,5-dimethoxyphenyl)methanol.

Physical properties of Benzenemethanol,4-bromo-3,5-dimethoxy- are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.16; (6)ACD/BCF (pH 7.4): 4.16; (7)ACD/KOC (pH 5.5): 96.56; (8)ACD/KOC (pH 7.4): 96.56; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 53.75 cm³; (15)Molar Volume: 167.4 cm³; (16)Polarizability: 21.3×10^-24cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 164.4 °C; (20)Enthalpy of Vaporization: 62.53 kJ/mol; (21)Boiling Point: 348.1 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C9H11BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3
(2)InChIKey: TYICCDYGCBAFCB-UHFFFAOYSA-N
(3)Canonical SMILES: COC1=CC(=CC(=C1Br)OC)CO