1-(2-Bromophenyl)ethanol

HCID 95455CAS 5411-56-3

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Basic information

Standard SMILES: CC(O)c1ccccc1Br
InChIKey: DZLZSFZSPIUINR-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: 1-(2-Bromophenyl)ethanol
IUPAC: 1-(2-bromophenyl)ethanol
English name: 1-(2'-Bromophenyl)-1-hydroxyethane
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

1-(2-bromophenyl)ethanol5411-56-3DTXSID801313058RefChem:421690DTXCID908950882-Bromo-alpha-methylbenzyl alcoholMFCD000650011-(2'-BROMOPHENYL)-1-HYDROXYETHANEo-bromo-1-phenylethanolNSC10988EINECS 226-491-3o-bromo-1-phenyl ethanol

Show more names

1-(2-Bromophenyl)ethan-1-ol2-BROMOPHENYL METHYL CARBINOL1-(o-Bromophenyl)ethyl alcoholα-Methyl-2-bromobenzyl alcoholα-Methyl-2-bromobenzenemethanol(1R)-1-(2-bromophenyl)ethan-1-olBenzenemethanol, 2-bromo-α-methyl-

(R)-(+)-2-Bromo-alpha-methylbenzyl alcohol1-(2-bro-mophenyl)eth1-(2-bro-mophenyl)ethanol1-(2-bromo-phenyl)-ethanolSCHEMBL2865562-Bromo-A-methylbenzyl alcoholSCHEMBL1044900SCHEMBL14376099

Database identifiers

CAS: 5411-56-3
PubChem CID: 95455
DTXSID: DTXSID801313058
EC Number: 226-491-3
Nikkaji: J217.982B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 54 · 54-56°C
Boiling point: 195.33 °C · 195.33°C (rough estimate)
Density: 1.3646 · 1.3646 (rough estimate)
refractive index: 1.58 · 1.5800 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
form: Liquid
pka: 14.01 · 14.01±0.20(Predicted)
color: Clear yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HS Code: 29062900 · 29062900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.