3-(Chloromethyl)heptane
Properties
- Molecular formula
- C8H17Cl
- Molar mass
- 148.67 g/mol
- Exact mass
- 148.1019 Da
- Boiling point
- 172 °C
- logP
- 3.44Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction78.8% of notifiers
- H400 Very toxic to aquatic life78.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects78.8% of notifiers
- H413 May cause long lasting harmful effects to aquatic life20.7% of notifiers
Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P501
Identifiers
CAS number
123-04-6SMILES
CCCCC(CC)CClInChIKey
WLVCBAMXYMWGLJ-UHFFFAOYSA-NInChI
InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Heptane, 3-(chloromethyl)-
- 2-Ethylhexyl chloride
- 1-Chloro-2-ethylhexane
- NSC 8883
Work with 3-(Chloromethyl)heptane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Di(2-ethylhexyl)ether10143-60-960 % similar
2-Ethylhexylamine104-75-656 % similar
2-Ethylhexanol104-76-756 % similar
Bis(2-ethylhexyl)amine106-20-756 % similar
Tris(2-ethylhexyl)amine1860-26-056 % similar
2-Ethylhexyl bromide18908-66-256 % similar
2-Ethyl-1-hexanethiol7341-17-556 % similar
Dichlorobis(2-ethylhexyl)silane1089687-03-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.