2-Propen-1-yl 2-chloroacetate

C₅H₇ClO₂CAS 2916-14-5134.56 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₅H₇ClO₂
Molar mass: 134.56 g/mol
Exact mass: 134.0135 Da
Density: 1.1469 g/mL (at 20 °C)
Boiling point: 68–69 °C (at 20 Torr)
logP: 0.95Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2916-14-5

SMILES

C=CCOC(=O)CCl

InChIKey

VMBJJCDVORDOCF-UHFFFAOYSA-N

InChI

InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2-chloro-, 2-propen-1-yl ester
Acetic acid, chloro-, allyl ester
Acetic acid, chloro-, 2-propenyl ester
Allyl chloroacetate
NSC 44997
Chloroacetic acid allyl ester

Work with 2-Propen-1-yl 2-chloroacetate

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

1,6-Di-2-propen-1-yl hexanedioate2998-04-161 % similar Allyl propionate2408-20-059 % similar Allyl butyrate2051-78-755 % similar Ethenyl 2-chloroacetate2549-51-154 % similar Allyl acetoacetate1118-84-953 % similar 2-Propen-1-yl 2-cyanoacetate13361-32-553 % similar Allyl chloroformate2937-50-052 % similar Allyl hexanoate123-68-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-pentanedione1694-29-7 Chloroethyl acrylate2206-89-5 3-Chlorocyclobutane-1-carboxylic acid35207-71-7 3-Ethoxy-2-propenoyl chloride6191-99-7

Elsewhere

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