1,3-Diethyl 2-chloropropanedioate

C₇H₁₁ClO₄CAS 14064-10-9194.61 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₁₁ClO₄
Molar mass: 194.61 g/mol
Exact mass: 194.0346 Da
Boiling point: 222 °C
logP: 0.72Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage95.5% of notifiers
H318 Causes serious eye damage90.9% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H400 Very toxic to aquatic life95.5% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

14064-10-9

SMILES

CCOC(=O)C(Cl)C(=O)OCC

InChIKey

WLWCQKMQYZFTDR-UHFFFAOYSA-N

InChI

InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

Propanedioic acid, 2-chloro-, 1,3-diethyl ester
Malonic acid, chloro-, diethyl ester
Propanedioic acid, chloro-, diethyl ester
Chloromalonic acid diethyl ester
Diethyl chloromalonate
Ethyl chloromalonate
α-Chlorodiethyl malonate
Diethyl monochloromalonate
NSC 227952
Chloropropanedioic acid ethyl ester
Diethyl chloropropanedioate
Diethyl 2-chloromalonate

Work with 1,3-Diethyl 2-chloropropanedioate

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

Ethyl 2-chloroacetoacetate609-15-474 % similar Diethyl 2-chloro-3-oxobutanedioate34034-87-269 % similar Ethyl 2-chloro-4,4,4-trifluoroacetoacetate363-58-667 % similar Ethyl chlorofluoroacetate401-56-963 % similar Ethyl 2-chloropropionate535-13-763 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-158 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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