Basic information
- Standard SMILES
C=CC(Cl)=C(Cl)Cl- InChIKey
ZFBGKBGUMMBBMY-UHFFFAOYSA-N- Molecular formula
- C4H3Cl3
- Average molar mass
- 157.42 g/mol
- Monoisotopic mass
- 155.93003314
Names & identifiers
- Preferred name
- 1,3-Butadiene, 1,1,2-trichloro-
- IUPAC
- 1,1,2-trichlorobuta-1,3-diene
- English name
- 1,1,2-Trichloro-1,3-butadiene
- Molecular formula
- C4H3Cl3
- Molecular weight
- 157.43
Names & synonyms
1,3-Butadiene, 1,1,2-trichloro-Trichlorobutadiene1,1,2-Trichlorobutadiene1,1,2-TRICHLORO-1,3-BUTADIENE1,1,2-Trichlorobutadiene-1,3BRN 1741734DTXSID50739594-01-00-00986 (Beilstein Handbook Reference)RefChem:72531DTXCID80378351,1,2-trichlorobuta-1,3-diene2852-07-5
Show more names
TCBDTrichlorbutadienSCHEMBL999830SCHEMBL2706232NS00127707
Database identifiers
- CAS
2852-07-5- PubChem CID
- 17847
- DTXSID
DTXSID5073959- Nikkaji
- J29.167F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99.5
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 169.18 °C · 169.18°C (rough estimate)
- Density
- 1.406 · 1.4060 (estimate)
- refractive index
- 1.5262 · 1.5262 (estimate)
- EPA Substance Registry System
- 1 · 1,3-Butadiene, 1,1,2-trichloro- (2852-07-5)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 680 mg/kg GISAAA 45(10),77,80
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,3-Butadiene, 1,1,2-trichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- Toxicity
- LD50 orl-rat: 680 mg/kg GISAAA 45(10),77,80
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
1 records
Linked notes
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