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Name	1,1,1,3,3-Pentachloroacetone	EINECS	N/A
CAS No.	1768-31-6	Density	1.737g/cm³
PSA	17.07000	LogP	2.72940
Solubility	N/A	Melting Point	1.1°C
Formula	C3H Cl5 O	Boiling Point	192.2°Cat760mmHg
Molecular Weight	230.305	Flash Point	74.4°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by inhalation and ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, ALIPHATIC.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Propanone,pentachloro- (6CI,7CI); 1,1,1,3,3-Pentachloro-2-propanone;1,1,1,3,3-Pentachloropropanone; Pentachloro-2-propanone; Pentachloroacetone	Article Data	28

1,1,1,3,3-Pentachloroacetone Chemical Properties

Product Name: 1,1,1,3,3-Pentachloroacetone (CAS NO.1768-31-6)

Molecular Formula: C₃HCl₅O
Molecular Weight: 230.30444g/mol
Mol File: 1768-31-6.mol
EINECS: 217-188-7
Boiling point: 192.2 °C at 760 mmHg
Flash Point: 74.4 °C
Density: 1.737 g/cm³
Surface Tension: 43.9 dyne/cm
Enthalpy of Vaporization: 42.84 kJ/mol
Vapour Pressure: 0.494 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 1,1,1,3,3-Pentachloroacetone (CAS NO.1768-31-6):
IUPAC Name: 1,1,1,3,3-pentachloropropan-2-one
Canonical SMILES: C(C(=O)C(Cl)(Cl)Cl)(Cl)Cl
InChI: InChI=1S/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey: RVSIFWBAGVMQKT-UHFFFAOYSA-N

1,1,1,3,3-Pentachloroacetone Toxicity Data With Reference

1.	mmo-sat 300 µL/plate	ENMUDM Environmental Mutagenesis. 7 (1985),163.
2.	mrc-smc 100 µL/L	MUREAV Mutation Research. 155 (1985),53.
3.	orl-rat LD50:200 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,96.
4.	ihl-mus LC50:450 mg/m³/2H	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,96.

1,1,1,3,3-Pentachloroacetone Safety Profile

Poison by inhalation and ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, ALIPHATIC.

1,1,1,3,3-Pentachloroacetone Specification

1,1,1,3,3-Pentachloroacetone , its CAS NO. is 1768-31-6, the synonyms are 4-01-00-03222 (Beilstein Handbook Reference) ; BRN 1766425 ; CCRIS 7472 ; 2-Propanone, 1,1,1,3,3-pentachloro- ; Pentachloroacetone ; Pentachloropropanone .

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