Basic information
- CAS
632-21-3- Standard SMILES
O=C(C(Cl)Cl)C(Cl)Cl- InChIKey
DJWVKJAGMVZYFP-UHFFFAOYSA-N- Molecular formula
- C3H2Cl4O
- Average molar mass
- 195.9 g/mol
- Monoisotopic mass
- 193.885975
Overview
tetrachloroacetone has been reported in Asparagopsis armata with data available.
Names & identifiers
- Preferred name
- 1,1,3,3-Tetrachloropropanone
- IUPAC
- 1,1,3,3-tetrachloropropan-2-one
- English name
- 1，1，3，3-Tetrachloroacetone
- Molecular formula
- C3H2Cl4O
- Molecular weight
- 195.86
Names & synonyms
1,1,3,3-Tetrachloroacetone632-21-31,1,3,3-tetrachloropropan-2-one1,1,3,3-Tetrachloropropanone1,1,3,3-Tetrachloro-2-propanoneJ7R42FF17PNSC-137844J1.711FDTXSID1021663RefChem:70929DTXCID301663211-172-3
Show more names
1，1，3，3-Tetrachloroacetone1，1，3，3-Tetrachloro-2-propanone
Tetrachloroacetone2-Propanone, 1,1,3,3-tetrachloro-1,1,3,3-Tetrachloroacetone (~85%)NSC 137844CCRIS 7471EINECS 211-172-3C3H2Cl4OBRN 1754083
Database identifiers
- CAS
632-21-3- PubChem CID
- 12436
- DTXSID
DTXSID1021663- UNII
- J7R42FF17P
- EC Number
- 211-172-3
- Nikkaji
- J1.711F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- Boiling point
- 280.97 °C · 280.97°C (rough estimate)
- Density
- 1.9022 · 1.9022 (rough estimate)
- refractive index
- 1.4944 · 1.4944 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- FDA UNII
- 7 R42FF17P · J7R42FF17P
- EPA Substance Registry System
- 2 · 2-Propanone, 1,1,3,3-tetrachloro- (632-21-3)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Propanone, 1,1,3,3-tetrachloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H310-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Applications
Uses1,1,3,3-Tetrachloroacetone is an polychlorinated compound found to be a potent mutagen.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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