Allyl chloroformate

C₄H₅ClO₂CAS 2937-50-0120.53 g/mol

Open in Covalent MOL file

Acyl halide Alkene

Properties

Molecular formula: C₄H₅ClO₂
Molar mass: 120.53 g/mol
Exact mass: 119.9978 Da
Density: 1.1394 g/mL (at 20 °C)
Melting point: −80 °C
Boiling point: 110 °C
Flash point: 27.8 °C (closed cup)
Water solubility: insoluble
logP: 1.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed95.7% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers
H330 Fatal if inhaled97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2937-50-0

SMILES

C=CCOC(=O)Cl

InChIKey

CAEWJEXPFKNBQL-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2

Weigh it out

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

Names and synonyms

10 names

Carbonochloridic acid, 2-propen-1-yl ester
Formic acid, chloro-, allyl ester
Carbonochloridic acid, 2-propenyl ester
Allyl chlorocarbonate
Allyloxycarbonyl chloride
Chloroformic acid allyl ester
Allyl chloridocarbonate
2-Propenyl chloroformate
Allyl carbonochloridate
2-Propen-1-yl chloroformate

Work with Allyl 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

Diallyl maleate999-21-358 % similar Allyl acrylate999-55-356 % similar Diallyl dicarbonate115491-93-552 % similar 2-Propen-1-yl 2-chloroacetate2916-14-552 % similar 2-Propen-1-yl 2-butenoate20474-93-550 % similar Allyl acetate591-87-750 % similar 1,6-Di-2-propen-1-yl hexanedioate2998-04-148 % similar Allyl propionate2408-20-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethenyl 2-chloroacetate2549-51-1 1-Methylethenyl carbonochloridate57933-83-2 Methyl 2-chloroacrylate80-63-7

Elsewhere

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