1,1-Bis(bromomethyl)cyclopropane

C₅H₈Br₂CAS 29086-41-7227.93 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₅H₈Br₂
Molar mass: 227.93 g/mol
Exact mass: 225.8993 Da
Boiling point: 63.7–64 °C (at 5.1 Torr)
logP: 2.56Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29086-41-7

SMILES

BrCC1(CBr)CC1

InChIKey

GJCHFNVRRQTXHL-UHFFFAOYSA-N

InChI

InChI=1S/C5H8Br2/c6-3-5(4-7)1-2-5/h1-4H2

Weigh it out

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

Names and synonyms

2 names

Cyclopropane, 1,1-bis(bromomethyl)-
1,1-Di(bromomethyl)cyclopropane

Reactions

Controlled-potential electrolytic reduction: 1,1-bis(bromomethyl)cyclopropane (Cyclopropane, 1,1-bis(bromomethyl)-)product

Work with 1,1-Bis(bromomethyl)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-Dibromo-2,2-bis(bromomethyl)propane3229-00-367 % similar Pentaerythritol tribromide1522-92-547 % similar 3,3-Bis(bromomethyl)oxetane2402-83-747 % similar 2,2-Bis(bromomethyl)-1,3-propanediol3296-90-047 % similar Tribromoneopentyl alcohol36483-57-547 % similar 1-Bromo-2,2-dimethylpropane630-17-144 % similar [3-(Bromomethyl)oxetan-3-yl]methanol22633-44-936 % similar 2-Bromo-1,1,1-trifluoroethane421-06-735 % similar

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

Elsewhere

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