4-Bromo-2-(trifluoromethyl)benzaldehyde

C8H4BrF3OCAS 861928-27-0253.02 g/mol

Open in Covalent MOL file
OBrFFF
AldehydeAlkyl halideAryl halide

Properties

Molecular formula
C8H4BrF3O
Molar mass
253.02 g/mol
Exact mass
251.9398 Da
Melting point
48–50 °C
logP
3.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
861928-27-0
SMILES
O=Cc1ccc(Br)cc1C(F)(F)F
InChIKey
PROPHDFGNNBHJX-UHFFFAOYSA-N
InChI
InChI=1S/C8H4BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H

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Names and synonyms

1 names
  • Benzaldehyde, 4-bromo-2-(trifluoromethyl)-

Work with 4-Bromo-2-(trifluoromethyl)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

4-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-069 % similar 2,4-Bis(trifluoromethyl)benzaldehyde59664-42-566 % similar 4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-462 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-158 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-557 % similar 2-(Trifluoromethyl)benzaldehyde447-61-056 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3 4'-Bromo-2,2,2-trifluoroacetophenone16184-89-7 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-4 3'-Bromo-2,2,2-trifluoroacetophenone655-26-5 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7

Elsewhere

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