2-Propenal, 2-bromo-

HCID 26969CAS 1425-39-4

Substructure search Find similar structures

Basic information

Standard SMILES: C=C(Br)C=O
InChIKey: MDSPECLCFVWIGQ-UHFFFAOYSA-N
Molecular formula: C3H3BrO
Average molar mass: 134.96 g/mol
Monoisotopic mass: 133.93672682

Names & identifiers

Preferred name: 2-Propenal, 2-bromo-
IUPAC: 2-bromoprop-2-enal
English name: 2-Bromo-propenal
Molecular formula: C3H3BrO
Molecular weight: 134.96

Names & synonyms

2-Bromoacrolein14925-39-42-Propenal, 2-bromo-5ZNJ9VTS87RefChem:85842635-115-02-bromoprop-2-enal2-Bromoacrylaldehyde2-Bromopropenal2-BROMO-PROPENAL2-Bromo-2-propenal2-Propenal, 2-bromo- (9CI)

Show more names

α-Bromoacrolein2-BROMO-PROPENAL ISO 9001：2015 REACH2-Bromo-acrylaldehyde, 2-Bromopropenal

MFCD000615201425-39-4alpha-Bromoacrolein2-BromopropenaldehydeC3H3BrOCCRIS 1618BRN 1698247ACROLEIN, 2-BROMO-

Database identifiers

CAS: 1425-39-4、14925-39-4
PubChem CID: 26969
DTXSID: DTXSID50931491
ChEMBL: CHEMBL447065
UNII: 5ZNJ9VTS87
EC Number: 635-115-0
Nikkaji: J39.001A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 57.9

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 58 °C · 58 °C(Press: 21 Torr)
Density: 1.3014 · 1.3014 (rough estimate)
refractive index: 1.4562 · 1.4562 (estimate)
Flash point: 97 °C · 97°C
storage temp.: -20 °C · -20°C
BRN: 1698247 · 1698247
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 300 · H300-H311+H331-H314-H400
Precautionary statements: 280 · P280-P301+P310+P330-P303+P361+P353-P304+P340+P310-P305+P351+P338-P403+P233
Hazard Codes: T,N
Risk Statements: 23 · 23/24/25-34-50
Safety Statements: 26 · 26-36/37/39-45-61
RIDADR: 3286 · UN3286 3/PG 2
WGK Germany: 3 · 3
RTECS: 1110000 · AS1110000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Safety data

wgk: 3
rtecs: AS1110000
ridadr: UN3286 3/PG 2
risk_code: 23/24/25-34-50
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS09
hazard_code: T,N
safety_code: 26-36/37/39-45-61
Hazard statements: H300-H311+H331-H314-H400
Precautionary statements: P280-P301+P310+P330-P303+P361+P353-P304+P340+P310-P305+P351+P338-P403+P233