2-Bromo-6-fluoro-3-methylbenzaldehyde

C₈H₆BrFOCAS 154650-16-5217.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₆BrFO
Molar mass: 217.04 g/mol
Exact mass: 215.9586 Da
logP: 2.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

154650-16-5

SMILES

CC1=C(C(=C(C=C1)F)C=O)Br

InChIKey

HORDCPFFRDZLRG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3

Weigh it out

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

Work with 2-Bromo-6-fluoro-3-methylbenzaldehyde

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-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-260 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-256 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-150 % similar 2-Bromo-6-fluorobenzaldehyde360575-28-649 % similar 2,3,6-Trifluorobenzaldehyde104451-70-948 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-647 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-647 % similar 2-Bromo-1-fluoro-3-methylbenzene59907-13-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2 3-Fluorophenacyl bromide53631-18-8

Elsewhere

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