2-Bromostyrene

HCID 16264CAS 125904-11-2

Substructure search Find similar structures

Basic information

Standard SMILES: C=Cc1ccccc1Br
InChIKey: SSZOCHFYWWVSAI-UHFFFAOYSA-N
Molecular formula: C8H7Br
Average molar mass: 183.04 g/mol
Monoisotopic mass: 181.97311232

Names & identifiers

Preferred name: 2-Bromostyrene
IUPAC: 1-bromo-2-ethenylbenzene
English name: Benzene, ethenyl-, ar-bromo derivs.
Molecular formula: C8H7Br
Molecular weight: 0

Names & synonyms

2-Bromostyrene2039-88-5Benzene, 1-bromo-2-ethenyl-9A96GP6Z5DJ7.858ADTXSID8040777RefChem:1062504DTXCID6020777218-027-31-Bromo-2-vinylbenzene1-bromo-2-ethenylbenzeneo-Bromostyrene

Show more names

1-bromo-2-ethenyl-benzeneBenzene, ethenyl-, ar-bromo derivs.Benzene, dibromoethylBenzene, ethenyl-, ar-bromo derivs.

MFCD000000762-Bromo-styreneF2189-0075Styrene, o-bromo-1-bromo-2-vinyl-benzeneUNII-9A96GP6Z5DBromstyrolo-Bromovinylbenzene

Database identifiers

CAS: 125904-11-2、2039-88-5
PubChem CID: 16264
DTXSID: DTXSID8040777
ChEMBL: CHEMBL1890855
UNII: 9A96GP6Z5D
EC Number: 218-027-3
Nikkaji: J7.858A

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 98.7

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 369.7 ℃ · 369.7℃ at 97.5-98.2kPa
Density: 1.798 at · 1.798 at 20℃
vapor pressure: 12 Pa · 12Pa at 25℃
form: Liquid
Henry's Law Constant: 9 · 9.0×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
LogP: 4.43 · 4.43
EPA Substance Registry System: Benzene, ethenyl-, ar-bromo derivs. (125904-11-2)
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Danger
Hazard statements: 319 · H319-H315-H411-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed
REACH Registrations: Active

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Bromostyrene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS08,GHS09
Hazard statements: H319-H315-H411-H335
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362