1-Bromo-1-propene

HCID 11533CAS 590-14-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC=CBr
InChIKey: NNQDMQVWOWCVEM-UHFFFAOYSA-N
Molecular formula: C3H5Br
Average molar mass: 120.98 g/mol
Monoisotopic mass: 119.95746226

Overview

See also: cis-1-Bromo-1-propene (annotation moved to).

Names & identifiers

Preferred name: 1-Bromo-1-propene
IUPAC: 1-bromoprop-1-ene

Names & synonyms

1-Bromo-1-propene590-14-7Propenyl bromide1-Propene, 1-bromo-DTXSID0060438RefChem:1055017DTXCID7042512209-671-61-bromoprop-1-enebromopropene590-13-61-propene, 1-bromo-, (1Z)-

Show more names

1-Bromo-1-propene (cis- and trans- mixture)1 -bromopropenealpha-bromopropeneBromo-1-propene1-bromo 1-propenetrans-1-Bromo-1-propene - stablised with CopperSCHEMBL245914SCHEMBL246251

Database identifiers

CAS: 590-14-7
PubChem CID: 11533
DTXSID: DTXSID0060438
EC Number: 209-671-6

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 22.5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

SpringerMaterials PropertiesDensity

Physical DescriptionClear, light yellow liquid; [Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses other liver changes in 1-week intermittent inhalation studies of rats; [RTECS] A skin and strong eye irritant; [Aldrich MSDS] See 1-Chloro-1-propene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)