4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

C₇HBrF₄OCAS 108574-98-7256.98 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇HBrF₄O
Molar mass: 256.98 g/mol
Exact mass: 255.9147 Da
logP: 2.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108574-98-7

SMILES

C(=O)C1=C(C(=C(C(=C1F)F)Br)F)F

InChIKey

ABQIERQXAUMNCS-UHFFFAOYSA-N

InChI

InChI=1S/C7HBrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h1H

Weigh it out

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Work with 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

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

2,3,5,6-Tetrafluoroterephthalaldehyde3217-47-874 % similar Pentafluorobenzaldehyde653-37-270 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-653 % similar 2,3,5,6-Tetrafluorobenzaldehyde19842-76-350 % similar Bromopentafluorobenzene344-04-750 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-148 % similar 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl10386-84-245 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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