CAS 815-48-5 3-Bromo-2-pentanone (HCID 10012249)

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Basic information

CAS: 815-48-5
Standard SMILES: CCC(Br)C(C)=O
InChIKey: VKJQRFXZZVMMGA-UHFFFAOYSA-N
Molecular formula: C5H9BrO
Average molar mass: 165.03 g/mol
Monoisotopic mass: 163.98368

Names & identifiers

Preferred name: 3-Bromo-2-pentanone
IUPAC: 3-bromopentan-2-one
English name: 2-Pentanone, 3-bromo-
Molecular formula: C5H9BrO
Molecular weight: 165.03

Names & synonyms

3-bromo-2-pentanone815-48-5DTXSID70434075RefChem:277363DTXCID903849023-bromopentan-2-one2-Pentanone, 3-bromo-3-bromo-pentan-2-one3-Brom-pentanon-(2)SCHEMBL539353VKJQRFXZZVMMGA-UHFFFAOYSA-NAAA81548

Show more names

2-Pentanone, 3-bromo-

EN300-366009

Database identifiers

CAS: 815-48-5
PubChem CID: 10012249
DTXSID: DTXSID70434075
EC Number: 876-248-6
Nikkaji: J698.887C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 70

Physicochemical properties

Boiling point: 53 °C · 53 °C(Press: 14 Torr)
Density: 1.355 · 1.355±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.