Ethyl (chlorosulfonyl)acetate

C₄H₇ClO₄SCAS 55896-93-0186.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇ClO₄S
Molar mass: 186.61 g/mol
Exact mass: 185.9754 Da
logP: 0.12Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

55896-93-0

SMILES

CCOC(=O)CS(=O)(=O)Cl

InChIKey

DWCZKKQRUBQFIB-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO4S/c1-2-9-4(6)3-10(5,7)8/h2-3H2,1H3

Weigh it out

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Names and synonyms

1 names

Ethyl 2-(chlorosulfonyl)acetate

Work with Ethyl (chlorosulfonyl)acetate

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

Ethyl (methylsulfonyl)acetate4455-15-658 % similar Ethyl chloroacetate105-39-550 % similar Diethyl malonate105-53-350 % similar Diethyl succinate123-25-150 % similar Ethyl propionate105-37-348 % similar Diethyl glutarate818-38-248 % similar Ethyl phenylsulfonylacetate7605-30-347 % similar Ethyl 3-chloropropionate623-71-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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