chempirical

2-Ethylhexyl chloroformate

C9H17ClO2CAS 24468-13-1192.68 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

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

Identifiers

CAS number
24468-13-1
SMILES
CCCCC(CC)COC(=O)Cl
InChIKey
RTGLJCSUKOLTEM-UHFFFAOYSA-N
InChI
InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3

Weigh 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. All similar compounds

Elsewhere

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