Tribromoneopentyl alcohol

C₅H₉Br₃OCAS 36483-57-5324.84 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₉Br₃O
Molar mass: 324.84 g/mol
Exact mass: 321.8204 Da
Water solubility: insoluble
logP: 2.15Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 603-243-00-6), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

36483-57-5

SMILES

C(C(CBr)(CBr)CBr)O

InChIKey

QEJPOEGPNIVDMK-UHFFFAOYSA-N

InChI

InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2

Weigh it out

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

Names and synonyms

2 names

1-Propanol, 2,2-dimethyl-, tribromo deriv.
Pentaerythritol tribromide

Work with Tribromoneopentyl alcohol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pentaerythritol tribromide1522-92-5

Similar compounds

2,2-Bis(bromomethyl)-1,3-propanediol3296-90-087 % similar [3-(Bromomethyl)oxetan-3-yl]methanol22633-44-965 % similar Pentaerythritol115-77-553 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-353 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-648 % similar 1,1-Bis(bromomethyl)cyclopropane29086-41-747 % similar 1,1-Cyclopropanedimethanol39590-81-347 % similar 2,2-Diethyl-1,3-propanediol115-76-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook