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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 |
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. | 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. |
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 , 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 .