3,3-Bis(bromomethyl)oxetane

C₅H₈Br₂OCAS 2402-83-7243.93 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₈Br₂O
Molar mass: 243.93 g/mol
Exact mass: 241.8942 Da
Density: 1.83 g/mL (at 25 °C)
Melting point: 25 °C
Boiling point: 121 °C (at 1.8 Torr)
logP: 1.79Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H314 Causes severe skin burns and eye damage11.4% of notifiers

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

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

2402-83-7

SMILES

BrCC1(CBr)COC1

InChIKey

QOPMHMFIIMJWET-UHFFFAOYSA-N

InChI

InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2

Weigh it out

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

Names and synonyms

3 names

Oxetane, 3,3-bis(bromomethyl)-
BBMO
NSC 281665

Work with 3,3-Bis(bromomethyl)oxetane

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

[3-(Bromomethyl)oxetan-3-yl]methanol22633-44-965 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-353 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-948 % similar 1,1-Bis(bromomethyl)cyclopropane29086-41-747 % similar Tris(tribromoneopentyl) phosphate19186-97-142 % similar Dipentaerythritol126-58-940 % similar Pentaerythritol tribromide1522-92-540 % similar 2-Oxa-6-azaspiro[3.3]heptane174-78-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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