tert-Butyl 2,2,2-trichloroacetimidate

C₆H₁₀Cl₃NOCAS 98946-18-0218.50 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₁₀Cl₃NO
Molar mass: 218.50 g/mol
Exact mass: 216.9828 Da
logP: 3.15Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor98% of notifiers
H302 Harmful if swallowed88% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

98946-18-0

SMILES

CC(C)(C)OC(=N)C(Cl)(Cl)Cl

InChIKey

CQXDYHPBXDZWBA-UHFFFAOYSA-N

InChI

InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3

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Names and synonyms

1 names

tert-Butyl 2,2,2-trichloroethanimidate

Work with tert-Butyl 2,2,2-trichloroacetimidate

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

Methyl trichloroacetimidate2533-69-954 % similar 1,1-Dimethylethyl carbamate4248-19-541 % similar Phenylmethyl 2,2,2-trichloroethanimidate81927-55-134 % similar tert-Butyl chloroacetate107-59-532 % similar tert-Butyl carbazate870-46-232 % similar Di-tert-butyl dicarbonate24424-99-532 % similar tert-Butyl acetate540-88-532 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-831 % similar

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

Elsewhere

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