Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-3,5-dimethoxybenzyl alcohol |
EINECS | N/A |
CAS No. | 61367-62-2 | Density | 1.475 g/cm3 |
PSA | 38.69000 | LogP | 1.95860 |
Solubility | N/A | Melting Point |
100-102oC |
Formula | C9H11BrO3 | Boiling Point | 348.1 °C at 760 mmHg |
Molecular Weight | 247.089 | Flash Point | 164.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-3,5-dimethoxybenzenemethanol;3,5-Dimethoxy-4-bromobenzyl alcohol;(4-Bromo-3,5-dimethoxyphenyl)methanol; |
Article Data | 19 |
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