1-Propene, 1,1,2-trichloro-
Basic information
- CAS
21400-25-9- Standard SMILES
CC(Cl)=C(Cl)Cl- InChIKey
LIPPKMMVZOHCIF-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3
- Average molar mass
- 145.41 g/mol
- Monoisotopic mass
- 143.930033
Names & identifiers
- Preferred name
- 1-Propene, 1,1,2-trichloro-
- IUPAC
- 1,1,2-trichloroprop-1-ene
- English name
- 1,1,2-TRICHLOROPROPENE
- Molecular formula
- C3H3Cl3
- Molecular weight
- 145.41
Names & synonyms
1,1,2-TRICHLOROPROPENE21400-25-91-Propene, 1,1,2-trichloro-1,1,2-Trichloro-1-propene1,1,2-Trichloropropene-15OK8WRI910DTXSID80734251,1,2Trichloropropene1,1,2Trichloropropene1RefChem:436384DTXCID0036471Propene, 1,1,2-trichloro-(6CI,7CI,8CI)
Show more names
1,1,2-trichloro-propen1,1,2-trichloro-1-propen
Trichloropropene1,1,2-trichloroprop-1-enePropene, 1,1,2-trichloro-1-Propene, trichloro-Trichloro-1-propene1,1,2-trichloro-propeneUNII-5OK8WRI91035175-85-0
Database identifiers
- CAS
21400-25-9、35175-85-0- PubChem CID
- 30616
- DTXSID
DTXSID8073425- UNII
- 5OK8WRI910
- Nikkaji
- J101.376I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 70.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesOptical coefficient
Vapor Pressure39.1 [mmHg]
Physicochemical properties
- Melting point
- -30 °C · -30°C (estimate)
- Boiling point
- 122.72 °C · 122.72°C (estimate)
- Density
- 1.382 · 1.3820
- refractive index
- 1.4827 · 1.4827
- InChI
- InChI=1S/C3H3Cl3/c1-2(4)3(5)6/h1H3
- InChIKey
- LIPPKMMVZOHCIF-UHFFFAOYSA-N
- SMILES
- C(/Cl)(\Cl)=C(\Cl)/C
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 OK8WRI910 · 5OK8WRI910
- EPA Substance Registry System
- 1 · 1-Propene, 1,1,2-trichloro- (21400-25-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses ptosis, ataxia, and pulmonary emboli in inhalation lethal-concentration studies of rats; [RTECS] See 1,2,3-Trichloropropene.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLCLo (rat) = 3,500 ppm/6hr
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Compound notes
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