3-Bromo-2-methylpropan-1-ol

C₄H₉BrOCAS 40145-08-2153.02 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₉BrO
Molar mass: 153.02 g/mol
Exact mass: 151.9837 Da
logP: 1.01Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from the 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

40145-08-2

SMILES

CC(CO)CBr

InChIKey

KIBOHRIGZMLNNS-UHFFFAOYSA-N

InChI

InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3

Weigh it out

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

Work with 3-Bromo-2-methylpropan-1-ol

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

2-Methyl-1,3-propanediol2163-42-061 % similar 1-Bromo-2-methylbutane10422-35-250 % similar 2-Methyl-1-butanol137-32-650 % similar (S)-2-Methyl-1-butanol1565-80-650 % similar 2-Methyl-1-butanol34713-94-550 % similar (2S)-1-Bromo-2-methylbutane534-00-950 % similar (2R)-2-Methyl-1,4-butanediol22644-28-648 % similar 1-Bromo-3-chloro-2-methylpropane6974-77-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-butanol33036-62-3 1-Bromo-3-methoxypropane36865-41-5 2-Bromoethyl ethyl ether592-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook