1,2,3-Trichloro-2-methylpropane
Basic information
- CAS
1871-58-5- Standard SMILES
CC(Cl)(CCl)CCl- InChIKey
XMCSILBVFPYTLC-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3
- Average molar mass
- 161.45 g/mol
- Monoisotopic mass
- 159.961333
Overview
1,2,3-trichloro-2-methylpropane is a chloroalkane that is 1,3-dichloropropane substituted by a chloro group and a methyl group at position 2.
Names & identifiers
- Preferred name
- 1,2,3-Trichloro-2-methylpropane
- IUPAC
- 1,2,3-trichloro-2-methylpropane
- English name
- 1,2,3-trichloro-2-methylpropane
- Molecular formula
- C4H7Cl3
- Molecular weight
- 161.46
Names & synonyms
1,2,3-Trichloro-2-methylpropane1,2,3-Trichloroisobutane1871-58-5Propane, 1,2,3-trichloro-2-methyl-EINECS 217-490-9NSC 96390CHEBI:143853DTXSID70171978RefChem:71421DTXCID8094469Propane, 1,2,3-trichloro-2-methyl-(8CI)Propane, 1,2,3-trichloro-2-methyl-(8CI)(9CI)
Show more names
2-METHYL-1,2,3-TRICHLOROPROPANELiothyronine Impurity 1 Sodium Salt Hydrate (Liothyronine EP Impurity A Sodium Salt Hydrate)
217-490-9XMCSILBVFPYTLC-UHFFFAOYSA-NRJ5LM3NG4W1,2,3-trichloro-2-methyl-propaneNSC-96390Propane, 1,2,3-trichloro-2-methyl- (8CI)(9CI)NSC963901,3-Trichloroisobutane
Database identifiers
- CAS
1871-58-5- PubChem CID
- 74636
- DTXSID
DTXSID70171978- ChEBI
CHEBI:143853- UNII
- RJ5LM3NG4W
- EC Number
- 217-490-9
- Nikkaji
- J199.683E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -6 °C · -6°C (estimate)
- Boiling point
- 162 °C · 162°C
- Density
- 1.3012 · 1.3012
- refractive index
- 1.4736 · 1.4736
- FDA UNII
- 5 LM3NG4W · RJ5LM3NG4W
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1,2,3-trichloro-2-methylpropane is a chloroalkane that is 1,3-dichloropropane substituted by a chloro group and a methyl group at position 2.
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