2-Ethylhexyl chloroformate
Properties
- Molecular formula
- C9H17ClO2
- Molar mass
- 192.68 g/mol
- Exact mass
- 192.0917 Da
- Boiling point
- 207 °C
- logP
- 3.58Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Danger
- H290 May be corrosive to metals37.5% of notifiers
- H315 Causes skin irritation96.7% of notifiers
- H317 May cause an allergic skin reaction34.8% of notifiers
- H330 Fatal if inhaled99.5% of notifiers
Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P316, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
24468-13-1SMILES
CCCCC(CC)COC(=O)ClInChIKey
RTGLJCSUKOLTEM-UHFFFAOYSA-NInChI
InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Carbonochloridic acid, 2-ethylhexyl ester
- Formic acid, chloro-, 2-ethylhexyl ester
- Chloroformic acid 2-ethylhexyl ester
- 2-Ethylhexyl chlorocarbonate
- 2-Ethylhexyl carbonochloridate
Work with 2-Ethylhexyl chloroformate
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
2-Ethylhexyl acetate103-09-365 % similar
2-Ethylhexyl peroxydicarbonate16111-62-965 % similar
Bis(2-ethylhexyl) adipate103-23-163 % similar
2-Ethylhexyl fumarate141-02-663 % similar
Bis(2-ethylhexyl) maleate142-16-563 % similar
Dioctyl azelate103-24-261 % similar
Dioctyl sebacate122-62-361 % similar
Diisooctyl 1,2-cyclohexanedicarboxylate84-71-961 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.