Basic information
- CAS
13116-60-4- Standard SMILES
CC(Cl)(Cl)C(Cl)Cl- InChIKey
MDCBRXYTSHYYJE-UHFFFAOYSA-N- Molecular formula
- C3H4Cl4
- Average molar mass
- 181.9 g/mol
- Monoisotopic mass
- 179.906711
Names & identifiers
- Preferred name
- 1,1,2,2-Tetrachloropropane
- IUPAC
- 1,1,2,2-tetrachloropropane
- English name
- 1,1,2,2-Tetrachloropropane
- Molecular formula
- C3H4Cl4
- Molecular weight
- 181.88
Names & synonyms
1,1,2,2-TetrachloropropanePropane, 1,1,2,2-tetrachloro-UNII-8J40616P0X8J40616P0XDTXSID5074000RefChem:70880DTXCID3034030MDCBRXYTSHYYJE-UHFFFAOYSA-N13116-60-41,1,2,2-tetrachloro-propaneSCHEMBL1148186SCHEMBL1504537
Show more names
SCHEMBL3123264Q27270614
Database identifiers
- CAS
13116-60-4- PubChem CID
- 83154
- DTXSID
DTXSID5074000- UNII
- 8J40616P0X
- Nikkaji
- J88.016G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 58
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -50.2 °C · -50.2°C (estimate)
- Boiling point
- 153 °C · 153°C
- Density
- 1.5 · 1.5000
- refractive index
- 1.4833 · 1.4833
- FDA UNII
- 8 J40616P0X · 8J40616P0X
- EPA Substance Registry System
- 1 · Propane, 1,1,2,2-tetrachloro- (13116-60-4)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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