3,5-Dichloropentan-2-one

HCID 94032

Notes Reactions

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Basic information

CAS: 58371-98-5
Standard SMILES: CC(=O)C(Cl)CCCl
InChIKey: NOSBOKVYSXXKFL-UHFFFAOYSA-N
Molecular formula: C5H8Cl2O
Average molar mass: 155.02 g/mol
Monoisotopic mass: 153.99522024

Names & identifiers

Preferred name: 3,5-Dichloropentan-2-one
IUPAC: 3,5-dichloropentan-2-one
English name: 3,5-dichloropentan-2-one
Molecular formula: C5H8Cl2O
Molecular weight: 155.02

Names & synonyms

3,5-Dichloropentan-2-one58371-98-52-Pentanone, 3,5-dichloro-EINECS 261-227-03,5-dichloro-2-pentanoneDTXSID70973934RefChem:486762DTXCID801401374261-227-03,5-dichloro-pentan-2-oneSCHEMBL2407439AKOS006310527

Show more names

（N,O-DIMETHY-N'-NITROISOUREA

DB-356652NS00053186EN300-708738

Database identifiers

CAS: 58371-98-5
PubChem CID: 94032
DTXSID: DTXSID70973934
EC Number: 261-227-0
Nikkaji: J35.917C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 82.5

Physicochemical properties

Boiling point: 214.98 °C · 214.98°C (rough estimate)
Density: 1.239 · 1.2390
refractive index: 1.4632 · 1.4632 (estimate)
EPA Substance Registry System: 2 · 2-Pentanone, 3,5-dichloro- (58371-98-5)
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 330 · H330-H341-H319-H302
Precautionary statements: 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P316, P318, P320, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (97.4%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS06
Hazard statements: H330-H341-H319-H302
Precautionary statements: P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501