Basic information
- CAS
128399-57-5- Standard SMILES
CCCCC(C)CCCl- InChIKey
AGDXAUBGPYHIEH-UHFFFAOYSA-N- Molecular formula
- C8H17Cl
- Average molar mass
- 148.67 g/mol
- Monoisotopic mass
- 148.1018782
Names & identifiers
- Preferred name
- Heptane, 1-chloro-3-methyl-
- IUPAC
- 1-chloro-3-methylheptane
- English name
- 1-Chloro-3-methylheptane
- Molecular formula
- C8H17Cl
- Molecular weight
- 148.67
Names & synonyms
Heptane, 1-chloro-3-methyl-2350-21-2DTXSID90883829RefChem:783654DTXCID408763271-chloro-3-methylheptaneSCHEMBL11268831SCHEMBL18107480DTXSID50275988AGDXAUBGPYHIEH-UHFFFAOYSA-NAKOS006383360128399-57-5
Database identifiers
- CAS
128399-57-5、2350-21-2- PubChem CID
- 102789
- DTXSID
DTXSID50275988- Nikkaji
- J421.608C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.5
Physicochemical properties
- Melting point
- -41.9 °C · -41.9°C (estimate)
- Boiling point
- 178.66 °C · 178.66°C (estimate)
- Density
- 0.8765 · 0.8765 (estimate)
- refractive index
- 1.4183 · 1.4183 (estimate)
- EPA Substance Registry System
- 1 · Heptane, 1-chloro-3-methyl- (2350-21-2)
- 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 InformationHeptane, 1-chloro-3-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…