2-Bromo-5-(1,1-dimethylethyl)benzaldehyde

C11H13BrOCAS 875664-28-1241.13 g/mol

Open in Covalent MOL file
BrO
AldehydeAryl halide

Properties

Molecular formula
C11H13BrO
Molar mass
241.13 g/mol
Exact mass
240.0150 Da
logP
3.56Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
875664-28-1
SMILES
CC(C)(C)c1ccc(Br)c(C=O)c1
InChIKey
DWEWHEDCZHKXHK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13BrO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

2 names
  • Benzaldehyde, 2-bromo-5-(1,1-dimethylethyl)-
  • 2-Bromo-5-tert-butylbenzaldehyde

Work with 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde

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-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-365 % similar 5-tert-Butyl-2-hydroxy-benzaldehyde2725-53-360 % similar 4-tert-Butyl-2-hydroxybenzaldehyde66232-34-657 % similar 2-Bromo-5-methylbenzaldehyde90221-55-956 % similar 2,5-Dibromobenzaldehyde74553-29-055 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-451 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-051 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-phenyl-pentan-1-one49851-31-2 4′-Bromovalerophenone7295-44-5

Elsewhere

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