4-Chloroheptane
Basic information
- CAS
998-95-8- Standard SMILES
CCCC(Cl)CCC- InChIKey
MGSGWAXIEMEWCQ-UHFFFAOYSA-N- Molecular formula
- C7H15Cl
- Average molar mass
- 134.65 g/mol
- Monoisotopic mass
- 134.0862282
Names & identifiers
- Preferred name
- 4-Chloroheptane
- IUPAC
- 4-chloroheptane
- English name
- 4-Chloroheptane
- Molecular formula
- C7H15Cl
- Molecular weight
- 134.65
Names & synonyms
4-Chloroheptane998-95-8Heptane, 4-chloro-DTXSID90244254RefChem:98579DTXCID90166745653-990-7InChI=1/C7H15Cl/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2HMGSGWAXIEMEWCQ-UHFFFAOYSA-N4-Chlor-heptanSCHEMBL6703853SCHEMBL6937240
Show more names
SCHEMBL7869278AKOS009236794
Database identifiers
- CAS
998-95-8- PubChem CID
- 34689
- DTXSID
DTXSID90244254- EC Number
- 653-990-7
- Nikkaji
- J97.429C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.7
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -69.5 °C · -69.5°C (estimate)
- Boiling point
- 152.39 °C · 152.39°C (estimate)
- Density
- 0.871 · 0.8710
- refractive index
- 1.4237 · 1.4237
- Henry's Law Constant
- 3.6 · 3.6×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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