1,1-Dichloroacetone

C3H4Cl2OCAS 513-88-2126.96 g/mol

OClCl
Alkyl halideKetone

Properties

Molecular formula
C3H4Cl2O
Molar mass
126.96 g/mol
Exact mass
125.9639 Da
Density
1.2985 g/mL (at 20 °C)
Boiling point
120 °C
logP
1.38Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number
513-88-2
SMILES
CC(=O)C(Cl)Cl
InChIKey
CSVFWMMPUJDVKH-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3

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Names and synonyms

6 names
  • 2-Propanone, 1,1-dichloro-
  • 1,1-Dichloro-2-propanone
  • α,α-Dichloroacetone
  • Dichloromethyl methyl ketone
  • 1,1-Dichloropropanone
  • NSC 42725

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere