Dodecyl chloroformate

C₁₃H₂₅ClO₂CAS 24460-74-0248.79 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₅ClO₂
Molar mass: 248.79 g/mol
Exact mass: 248.1543 Da
Boiling point: 176–178 °C (at 1.5 Torr)
logP: 5.28Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 11

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage43.5% of notifiers

Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

24460-74-0

SMILES

CCCCCCCCCCCCOC(=O)Cl

InChIKey

AFPOMDNRTZLRMD-UHFFFAOYSA-N

InChI

InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Carbonochloridic acid, dodecyl ester
Formic acid, chloro-, dodecyl ester
Lauryl chloroformate
n-Dodecyl chloroformate
Dodecyloxycarbonyl chloride
Dodecyl carbonochloridate

Work with Dodecyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexadecyl carbonochloridate26272-90-2100 % similar Heptyl carbonochloridate33758-34-8100 % similar Hexyl chloroformate6092-54-2100 % similar Pentyl chloroformate638-41-596 % similar Butyl chloroformate592-34-784 % similar Propyl chloroformate109-61-569 % similar Dicaprylyl carbonate1680-31-561 % similar Heptyl acetate112-06-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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