2-(5-Bromo-2-methoxyphenyl)ethan-1-ol

HCID 1502017CAS 139517-71-8

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Basic information

Standard SMILES: COc1ccc(Br)cc1CCO
InChIKey: MJLMNJAALNCYOX-UHFFFAOYSA-N
Molecular formula: C9H11BrO2
Average molar mass: 231.09 g/mol

Names & identifiers

Preferred name: 2-(5-Bromo-2-methoxyphenyl)ethan-1-ol
IUPAC: 2-(5-bromo-2-methoxyphenyl)ethanol
English name: 4-Bromo-2-hydroxyethyl-1-methoxyphenyl
Molecular formula: C9H11BrO2
Molecular weight: 231.09

Names & synonyms

139517-71-82-(5-BROMO-2-METHOXYPHENYL)ETHAN-1-OLRefChem:458675976-836-3Benzeneethanol, 5-bromo-2-methoxy-2-(5-bromo-2-methoxyphenyl)ethanol2-(5-bromo-2-methoxyphenyl)-1-ethanol2-(5-bromo-2-methoxy-phenyl)ethanolSCHEMBL6044488MJLMNJAALNCYOX-UHFFFAOYSA-N4-Bromo-2-(2-hydroxyethyl)-anisoleAKOS013283789

Show more names

4-Bromo-2-hydroxyethyl-1-methoxyphenyl

EN300-169865A1-130131

Database identifiers

CAS: 139517-71-8
PubChem CID: 1502017
EC Number: 976-836-3

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P304+P340
HS Code: 2909498090 · 2909498090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.