2-Bromo-5-fluorobenzaldehyde

C₇H₄BrFOCAS 94569-84-3203.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄BrFO
Molar mass: 203.01 g/mol
Exact mass: 201.9430 Da
Melting point: 53–55 °C
logP: 2.40Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed11.1% of notifiers
H311 Toxic in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H331 Toxic if inhaled11.1% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

94569-84-3

SMILES

O=Cc1cc(F)ccc1Br

InChIKey

CJUCIKJLMFVWIS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 2-bromo-5-fluoro-
5-Fluoro-2-bromobenzaldehyde

Work with 2-Bromo-5-fluorobenzaldehyde

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

2,5-Difluorobenzaldehyde2646-90-460 % similar 2,5-Dibromobenzaldehyde74553-29-060 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-456 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-956 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-056 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 2-Chloro-5-fluorobenzaldehyde84194-30-956 % similar 2-Bromo-5-methylbenzaldehyde90221-55-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-fluorobenzaldehyde133059-43-5 3-Bromo-5-fluorobenzaldehyde188813-02-7 2-Bromo-6-fluorobenzaldehyde360575-28-6 4-Bromo-2-fluorobenzaldehyde57848-46-1 2-Bromo-4-fluorobenzaldehyde59142-68-6 3-Bromo-4-fluorobenzaldehyde77771-02-9 2-Bromo-3-fluorobenzaldehyde891180-59-9 5-Bromo-2-fluorobenzaldehyde93777-26-5

Elsewhere

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