Basic information
- CAS
13279-85-1- Standard SMILES
CCCC(Cl)(Cl)Cl- InChIKey
ABSHBZODGOHLFR-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3
- Average molar mass
- 161.45 g/mol
- Monoisotopic mass
- 159.961333
Names & identifiers
- Preferred name
- 1,1,1-Trichlorobutane
- IUPAC
- 1,1,1-trichlorobutane
- English name
- 1,1,1-trichlorobutane
- Molecular formula
- C4H7Cl3
- Molecular weight
- 161.45738
Names & synonyms
1,1,1-Trichlorobutane13279-85-1Butane, 1,1,1-trichloro-R9RW2GUN5REINECS 236-280-8DTXSID60157802RefChem:70851DTXCID5080293236-280-8Propyl chloroformUNII-R9RW2GUN5RSCHEMBL21490
Show more names
SCHEMBL219084SCHEMBL2033805SCHEMBL3121951SCHEMBL8728820SCHEMBL9200519NS00024241
Database identifiers
- CAS
13279-85-1- PubChem CID
- 83297
- DTXSID
DTXSID60157802- UNII
- R9RW2GUN5R
- EC Number
- 236-280-8
- Nikkaji
- J87.955J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45
Physicochemical properties
- Melting point
- -6 °C · -6°C (estimate)
- Boiling point
- 151.13 °C · 151.13°C (estimate)
- Density
- 1.231 · 1.2310
- refractive index
- 1.453 · 1.4530
- FDA UNII
- 9 RW2GUN5R · R9RW2GUN5R
Safety & regulation
Hazard information
Regulatory InformationChemical: Butane, 1,1,1-trichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Regulatory information
Regulatory InformationChemical: Butane, 1,1,1-trichloro-
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
1 records
Compound notes
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