Methyl 1-bromocyclopropanecarboxylate

C₅H₇BrO₂CAS 96999-01-8179.01 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₇BrO₂
Molar mass: 179.01 g/mol
Exact mass: 177.9629 Da
logP: 1.09Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor50% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

96999-01-8

SMILES

COC(=O)C1(CC1)Br

InChIKey

RESWQIUWQHUEAW-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BrO2/c1-8-4(7)5(6)2-3-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

1 names

Methyll-bromo-cyclopropanecarboxylate

Work with Methyl 1-bromocyclopropanecarboxylate

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

Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-756 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-256 % similar Methyl 2-bromo-2-methylpropanoate23426-63-352 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-352 % similar Ethyl 1-bromocyclobutanecarboxylate35120-18-448 % similar Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-047 % similar Dimethyl diethylmalonate27132-23-646 % similar Methyl 2-fluoroisobutyrate338-76-146 % similar

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

Same formula

Methyl 4-bromo-2-butenoate1117-71-1 Methyl 2-(bromomethyl)-2-propenoate4224-69-5 2-Bromoethyl acrylate4823-47-6 Methyl (2E)-4-bromo-2-butenoate6000-00-6

Elsewhere

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