Basic information
- CAS
4749-27-3- Standard SMILES
C=C(C)C(Cl)(Cl)Cl- InChIKey
AIZNASPCDNJRSP-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 3,3,3-Trichloro-2-methyl-1-propene
- IUPAC
- 3,3,3-trichloro-2-methylprop-1-ene
- English name
- 3,3,3-Trichloro-2-methyl-1-propene
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
3,3,3-Trichloro-2-methyl-1-propene4749-27-33,3,3-trichloro-2-methylprop-1-ene3,3,3-TRICHLORO-2-METHYLPROPENEPropene, 3,3,3-trichloro-2-methyl-1-Propene, 3,3,3-trichloro-2-methyl-4CWK4E9TXDUNII-4CWK4E9TXDSCHEMBL9573595DTXSID5021677SCHEMBL16499888AIZNASPCDNJRSP-UHFFFAOYSA-N
Show more names
3,3,3-trichloro-2-methyl-propene3,3,3-Trichloro-2-methyl-1-propene #NS00120102
Database identifiers
- CAS
4749-27-3- PubChem CID
- 20862
- DTXSID
DTXSID5021677- UNII
- 4CWK4E9TXD
- Nikkaji
- J112.918J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 79.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 147.67 °C · 147.67°C (estimate)
- Density
- 1.293 · 1.2930
- refractive index
- 1.477 · 1.4770
- FDA UNII
- 4 CWK4E9TXD · 4CWK4E9TXD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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