Basic information
- CAS
31702-33-7- Standard SMILES
CC(CCl)=C(Cl)Cl- InChIKey
GVFGURPOQVIHNM-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 1,1,3-Trichloro-2-methyl-1-propene
- IUPAC
- 1,1,3-trichloro-2-methylprop-1-ene
- English name
- 1,1,3-Trichloro-2-methyl-1-propene
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
1,1,3-TRICHLORO-2-METHYL-1-PROPENEPropene, 1,1,3-trichloro-2-methyl-31702-33-71-Propene, 1,1,3-trichloro-2-methyl-1,1,3-trichloro-2-methylprop-1-eneSCHEMBL16823301DTXSID20185601GVFGURPOQVIHNM-UHFFFAOYSA-N1,1,3-trichloro-2-methylpropene1,1,3-trichloro-2-methyl-propeneAKOS0063844331,1,3-Trichloro-2-methyl-1-propene #
Show more names
InChI=1/C4H5Cl3/c1-3(2-5)4(6)7/h2H2,1H
Database identifiers
- CAS
31702-33-7- PubChem CID
- 35875
- DTXSID
DTXSID20185601- Nikkaji
- J112.919H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 80.9
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 153.85 °C · 153.85°C
- Density
- 1.346 · 1.3460
- refractive index
- 1.499 · 1.4990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…