Basic information
- CAS
2350-26-7- Standard SMILES
CCC(C)C(C)CCCl- InChIKey
FKUBXWPGZAKUSU-UHFFFAOYSA-N- Molecular formula
- C8H17Cl
- Average molar mass
- 148.67 g/mol
- Monoisotopic mass
- 148.1018782
Names & identifiers
- Preferred name
- Hexane, 1-chloro-3,4-dimethyl-
- IUPAC
- 1-chloro-3,4-dimethylhexane
- English name
- 1-chloro-3,4-dimethyl-hexane
- Molecular formula
- C8H17Cl
- Molecular weight
- 148.67
Names & synonyms
2350-26-7Hexane, 1-chloro-3,4-dimethyl-DTXSID60883831RefChem:786317DTXCID2010233161-chloro-3,4-dimethylhexaneFKUBXWPGZAKUSU-UHFFFAOYSA-NAKOS0063833571-CHLORO-3,4-DIMETHYL-HEXANEEN300-674231
Database identifiers
- CAS
2350-26-7- PubChem CID
- 102790
- DTXSID
DTXSID60883831- Nikkaji
- J421.609A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 61.6
Physicochemical properties
- EPA Substance Registry System
- 1 · Hexane, 1-chloro-3,4-dimethyl- (2350-26-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 1-chloro-3,4-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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