2-(2-Bromoethyl)oxirane

HCID 100414

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Basic information

CAS: 13287-42-8
Standard SMILES: BrCCC1CO1
InChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-N
Molecular formula: C4H7BrO
Average molar mass: 151 g/mol
Monoisotopic mass: 149.96802694

Names & identifiers

Preferred name: 2-(2-Bromoethyl)oxirane
IUPAC: 2-(2-bromoethyl)oxirane
English name: (2-Bromoethyl)oxirane
Molecular formula: C4H7BrO
Molecular weight: 151

Names & synonyms

2-(2-Bromoethyl)oxirane13287-42-8DTXSID201313624RefChem:453450DTXCID50969219812-975-7(2-Bromoethyl)oxiraneOxirane, 2-(2-bromoethyl)-4-Bromo-1,2-epoxybutaneOxirane, (2-bromoethyl)-MFCD110402461,2-Epoxy-4-bromobutane

Show more names

4-Bromo-1,2-epoxy-butane

(2-Bromoethyl)ocirane1-Bromo-3,4-epoxybutaneOcirane, (2-bromoethyl)-(S)-2-(2-Bromo-ethyl)-oxirane(2-bromoethyl)-oxirane2-(2-bromo-ethyl)-oxiraneNSC2953692-(2-bromo-eth

Database identifiers

CAS: 13287-42-8
PubChem CID: 100414
DTXSID: DTXSID201313624
EC Number: 812-975-7
Nikkaji: J660.956B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 46.8

Physicochemical properties

Boiling point: 80 · 80 ºC (50 MMHG)
Density: 1.521 · 1.521
refractive index: 1.476 · 1.476
Flash point: 59 · 59 ºC
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2
InChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-N
SMILES: O1CC1CCBr
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302-H315-H318-H335
Precautionary statements: 210 · P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 23 · 23-26-36
RIDADR: 1993 · 1993
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2932990090
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xi
safety_code: 23-26-36
Hazard statements: H225-H302-H315-H318-H335
Precautionary statements: P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501