N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide

C₇H₆Cl₃NO₅CAS 66065-85-8290.48 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carbonate Lactam

Properties

Molecular formula: C₇H₆Cl₃NO₅
Molar mass: 290.48 g/mol
Exact mass: 288.9312 Da
logP: 1.57Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

66065-85-8

SMILES

C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl

InChIKey

WBZXNGAFYBGQFE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2

Weigh it out

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

Work with N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide

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

Di(succinimido) carbonate74124-79-157 % similar N-(Allyloxycarbonyloxy)succinimide135544-68-251 % similar tert-Butyl succinimidyl carbonate13139-12-349 % similar 2,5-Dioxo-1-pyrrolidinyl [2-(trimethylsilyl)ethyl] carbonate78269-85-947 % similar N-(Benzyloxycarbonyloxy)succinimide13139-17-846 % similar N-(2-Chlorobenzyloxycarbonyloxy)succinimide65853-65-844 % similar Cyclopentyl 2,5-dioxo-1-pyrrolidinyl carbonate128595-07-343 % similar 2,2,2-Trichloroethoxycarbonyl chloride17341-93-442 % similar

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

Elsewhere

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