1-Chlorooctadecane
Properties
- Molecular formula
- C18H37Cl
- Molar mass
- 288.94 g/mol
- Exact mass
- 288.2584 Da
- Density
- 0.8289 g/mL (at 20 °C)
- Melting point
- 28.6 °C
- Boiling point
- 348 °C
- logP
- 7.49Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 16
Hazards
Warning
- H315 Causes skin irritation96.1% of notifiers
- H317 May cause an allergic skin reaction31.8% of notifiers
- H319 Causes serious eye irritation35.7% of notifiers
- H335 May cause respiratory irritation35.7% of notifiers
- H413 May cause long lasting harmful effects to aquatic life59.7% of notifiers
Aggregated from 129 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3386-33-2SMILES
CCCCCCCCCCCCCCCCCCClInChIKey
VUQPJRPDRDVQMN-UHFFFAOYSA-NInChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Octadecane, 1-chloro-
- Octadecyl chloride
- n-Octadecyl chloride
- NSC 5543
- 1-Octadecyl chloride
- C 18Cl
Work with 1-Chlorooctadecane
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
1-Chlorodecane1002-69-3100 % similar
1-Chlorooctane111-85-3100 % similar
1-Chlorododecane112-52-7100 % similar
1-Chlorotetradecane2425-54-9100 % similar
1-Chlorononane2473-01-0100 % similar
1-Chlorohexadecane4860-03-1100 % similar
1-Chlorohexane544-10-5100 % similar
1-Chloroheptane629-06-1100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.