1,3-Dichloro-2-methylpropane
Basic information
- CAS
616-19-3- Standard SMILES
CC(CCl)CCl- InChIKey
VENSUTAUIFXSRD-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2
- Average molar mass
- 127.01 g/mol
- Monoisotopic mass
- 126.0003056
Names & identifiers
- Preferred name
- 1,3-Dichloro-2-methylpropane
- IUPAC
- 1,3-dichloro-2-methylpropane
- English name
- 1,3-dichloro-2-methylpropane
- Molecular formula
- C4H8Cl2
- Molecular weight
- 127.01
Names & synonyms
1,3-Dichloro-2-methylpropane616-19-3Propane, 1,3-dichloro-2-methyl-DTXSID50210596RefChem:1052810DTXCID801330871,3-DichloroisobutaneSCHEMBL67650SCHEMBL2126231SCHEMBL94809861,3-dichloro-2-methyl-propaneSCHEMBL10933839
Show more names
3-chloro-2-(chloro-methyl)-propane1,3-Dichloro-2-methylpropane Propane, 1,3-dichloro-2-methyl-1,3-Dichloro-2-methylpropane\nPropane, 1,3-dichloro-2-methyl-
SCHEMBL27607588SCHEMBL27607603VENSUTAUIFXSRD-UHFFFAOYSA-NMFCD19231969AKOS006384434SY380089
Database identifiers
- CAS
616-19-3- PubChem CID
- 69218
- DTXSID
DTXSID50210596- Nikkaji
- J79.743J
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
- 6
- Formal charge
- 0
- Complexity
- 24.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -70.34 °C · -70.34°C (estimate)
- Boiling point
- 122.28 °C · 122.28°C (estimate)
- Density
- 1.1 · 1.1000
- refractive index
- 1.44 · 1.4400
Chemistry & industry
Upstream & downstream products
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Compound notes
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