[3-(Bromomethyl)oxetan-3-yl]methanol

C₅H₉BrO₂CAS 22633-44-9181.03 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₅H₉BrO₂
Molar mass: 181.03 g/mol
Exact mass: 179.9786 Da
logP: 0.39Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

22633-44-9

SMILES

C1C(CO1)(CO)CBr

InChIKey

SESXZSLSTRITGO-UHFFFAOYSA-N

InChI

InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2

Weigh it out

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

Names and synonyms

1 names

3-Bromomethyl-3-oxetanemethanol

Work with [3-(Bromomethyl)oxetan-3-yl]methanol

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

Dipentaerythritol126-58-965 % similar Pentaerythritol tribromide1522-92-565 % similar 3,3-Bis(bromomethyl)oxetane2402-83-765 % similar 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-965 % similar 2,2-Bis(bromomethyl)-1,3-propanediol3296-90-065 % similar Tribromoneopentyl alcohol36483-57-565 % similar Oxt-1013047-32-352 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7 2-(2-Bromoethyl)-1,3-dioxolane18742-02-4 5-Bromopentanoic acid2067-33-6 Methyl 2-bromo-2-methylpropanoate23426-63-3 (2S)-2-Bromo-3-methylbutanoic acid26782-75-2 Isopropyl bromoacetate29921-57-1 Methyl 2-bromobutanoate3196-15-4 Propyl bromoacetate35223-80-4

Elsewhere

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