2-Pentanone, 5-bromo-

HCID 77493CAS 3884-71-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)CCCBr
InChIKey: HTKABMPGOHRVCT-UHFFFAOYSA-N
Molecular formula: C5H9BrO
Average molar mass: 165.03 g/mol
Monoisotopic mass: 163.98367701

Names & identifiers

Preferred name: 2-Pentanone, 5-bromo-
IUPAC: 5-bromopentan-2-one
English name: 5-Bromo-pentan-2-one
Molecular formula: C5H9BrO
Molecular weight: 165.03

Names & synonyms

3884-71-75-Bromo-2-pentanone2-Pentanone, 5-bromo-1-Bromo-4-pentanoneEINECS 223-419-2DTXSID7063219RefChem:88978DTXCID0039564HTKABMPGOHRVCT-UHFFFAOYSA-N5-Bromopentan-2-one5-BROMO-PENTAN-2-ONEMFCD00051425

Show more names

5-Brompentan-2-on5-Brompentan-2-one1-broMopentan-4-onebromo-5-pentanone-23-bromopropyl methyl ketone

SCHEMBL808507AKOS006273529GS-6091SB36971CS-0103669NS00030470EN300-101257F079185

Database identifiers

CAS: 3884-71-7
PubChem CID: 77493
DTXSID: DTXSID7063219
EC Number: 223-419-2
Nikkaji: J24.227F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 61.1

Physicochemical properties

Boiling point: 73 · 73-75 °C(Press: 12 Torr)
Density: 1.359 · 1.359±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
EPA Substance Registry System: 2 · 2-Pentanone, 5-bromo- (3884-71-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.