α-Chlorodiethyl carbonate

C5H9ClO3CAS 50893-36-2152.57 g/mol

Open in Covalent MOL file
OOOCl
Alkyl halideCarbonate

Properties

Molecular formula
C5H9ClO3
Molar mass
152.57 g/mol
Exact mass
152.0240 Da
logP
1.74Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
50893-36-2
SMILES
CCOC(=O)OC(C)Cl
InChIKey
YVRGKFXJZCTTRB-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Carbonic acid, 1-chloroethyl ethyl ester
  • 1-Chloroethyl ethyl carbonate
  • α-Chloroethyl ethyl carbonate
  • Ethyl 1-chloroethyl carbonate
  • 1-(Ethoxycarbonyloxy)ethyl chloride
  • Ethyl (1-chloroethoxy)formate

Work with α-Chlorodiethyl carbonate

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-Chloroethyl 1-methylethyl carbonate98298-66-957 % similar Diethyl carbonate105-58-854 % similar 1-Chloroethyl cyclohexyl carbonate99464-83-253 % similar Diethyl peroxydicarbonate14666-78-550 % similar Diethyl pyrocarbonate1609-47-850 % similar Ethyl methyl carbonate623-53-047 % similar Ethyl 2-chloropropionate535-13-745 % similar Chloroethyl chloroformate50893-53-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloromethyl 1-methylethyl carbonate35180-01-9 (R)-4-Chloro-3-hydroxybutyric acid methyl ester88496-70-2

Elsewhere

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