Basic information
- CAS
999-07-5- Standard SMILES
CCCCC(Cl)CCC- InChIKey
SRGMFDQMGOZQPO-UHFFFAOYSA-N- Molecular formula
- C8H17Cl
- Average molar mass
- 148.67 g/mol
- Monoisotopic mass
- 148.1018782
Names & identifiers
- Preferred name
- 4-Chlorooctane
- IUPAC
- 4-chlorooctane
- English name
- 4-Chlorooctane
- Molecular formula
- C8H17Cl
- Molecular weight
- 148.67
Names & synonyms
4-ChlorooctaneOctane, 4-chloro-EINECS 213-657-5DTXSID00883633RefChem:98590DTXCID901023143213-657-5SRGMFDQMGOZQPO-UHFFFAOYSA-N999-07-55-Chlorooctane4-chloro-octaneSCHEMBL1478745
Show more names
4-chloro-octan
SCHEMBL2534071SCHEMBL4434367SCHEMBL4600939SCHEMBL4600945SCHEMBL7920315SCHEMBL8059044SCHEMBL8763514AKOS011004169
Database identifiers
- CAS
999-07-5- PubChem CID
- 33574
- DTXSID
DTXSID00883633- EC Number
- 213-657-5
- Nikkaji
- J97.446C
Properties
Computed structural properties
- XLogP
- 4
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
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
- 1.4181 · 1.4181 (estimate)
- EPA Substance Registry System
- 4 · Octane, 4-chloro- (999-07-5)
- 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 InformationOctane, 4-chloro-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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