2-Chloro-2,3-dimethylbutane
Basic information
- CAS
594-57-0- Standard SMILES
CC(C)C(C)(C)Cl- InChIKey
HEMQRALQJLCVBR-UHFFFAOYSA-N- Molecular formula
- C6H13Cl
- Average molar mass
- 120.62 g/mol
- Monoisotopic mass
- 120.0705781
Names & identifiers
- Preferred name
- 2-Chloro-2,3-dimethylbutane
- IUPAC
- 2-chloro-2,3-dimethylbutane
- English name
- 2-CHLORO-2,3-DIMETHYL BUTANE
- Molecular formula
- C6H13Cl
- Molecular weight
- 120.62
Names & synonyms
2-Chloro-2,3-dimethylbutane594-57-0Butane, 2-chloro-2,3-dimethyl-DTXSID40208124HEMQRALQJLCVBR-UHFFFAOYSA-RefChem:468552DTXCID60130615InChI=1/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H32-Chloro-2,3-dimethyl butaneMFCD000610302-chloro-2,3-dimethyl-butaneButane,2-chloro-2,3-dimethyl-
Show more names
SCHEMBL756149SCHEMBL5395976SCHEMBL7872840SCHEMBL111619062-Chloro-2,3-dimethylbutane #AKOS006273262GS-6129H10395
Database identifiers
- CAS
594-57-0- PubChem CID
- 136383
- DTXSID
DTXSID40208124- Nikkaji
- J94.882I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 55.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -10.4 °C · -10.4°C
- Boiling point
- 112.05 °C · 112.05°C
- Density
- 0.813 · 0.8130
- refractive index
- 1.4175 · 1.4175
- solubility
- Chloroform (Sparingly)
- form
- Oil
- color
- Colourless
- CAS DataBase Reference
- 594 · 594-57-0
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2-Chloro-2,3-dimethylbutane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…