1,3-Dibromo-5-tert-butylbenzene

C10H12Br2CAS 129316-09-2292.01 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C10H12Br2
Molar mass
292.01 g/mol
Exact mass
289.9306 Da
logP
4.51Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
129316-09-2
SMILES
CC(C)(C)C1=CC(=CC(=C1)Br)Br
InChIKey
SSPNOMJZVHXOII-UHFFFAOYSA-N
InChI
InChI=1S/C10H12Br2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3

Weigh it out

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Work with 1,3-Dibromo-5-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-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-989 % similar 1-Bromo-3-tert-butylbenzene3972-64-360 % similar 1,3,5-Tri-tert-butylbenzene1460-02-258 % similar 1-Bromo-4-tert-butylbenzene3972-65-457 % similar 4-Bromo-4'-(tert-butyl)biphenyl162258-89-150 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-350 % similar 1,3,5-Tribromobenzene626-39-150 % similar 4-Chloro-3,5-dibromo-tert-butylbenzene1000578-25-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-4

Elsewhere

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