1-Bromo-3-tert-butylbenzene

C10H13BrCAS 3972-64-3213.12 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C10H13Br
Molar mass
213.12 g/mol
Exact mass
212.0201 Da
logP
3.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
3972-64-3
SMILES
CC(C)(C)C1=CC(=CC=C1)Br
InChIKey
FDXXHPYFJDKWJS-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3

Weigh it out

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

Work with 1-Bromo-3-tert-butylbenzene

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-Di-tert-butylbenzene1014-60-465 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-260 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-960 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-557 % similar 1,3-Dibromobenzene108-36-152 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-752 % similar 3-tert-Butylphenol585-34-252 % similar 2'-Bromo-2,7-di-tert-butyl-9,9'-spirobi[fluorene]393841-81-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-phenylbutane13633-25-5 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-3 1-Bromo-4-(2-methylpropyl)benzene2051-99-2 1-Bromo-4-tert-butylbenzene3972-65-4 1-Bromo-4-butylbenzene41492-05-1

Elsewhere

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