1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane

C₅H₆Br₂Cl₂CAS 98577-44-7296.81 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆Br₂Cl₂
Molar mass: 296.81 g/mol
Exact mass: 293.8213 Da
logP: 3.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98577-44-7

SMILES

C1C(C1(Br)Br)(CCl)CCl

InChIKey

RCRVZCIUKQNOIS-UHFFFAOYSA-N

InChI

InChI=1S/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2

Weigh it out

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Work with 1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane

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

1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-732 % similar

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

Elsewhere

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