4-Fluoro-2-methylbenzaldehyde

C₈H₇FOCAS 63082-45-1138.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₇FO
Molar mass: 138.14 g/mol
Exact mass: 138.0481 Da
logP: 1.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage83.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63082-45-1

SMILES

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

InChIKey

ADCFIKGEGWFWEA-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3

Weigh it out

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

Work with 4-Fluoro-2-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

5-Fluoro-2-methylbenzaldehyde22062-53-972 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-961 % similar 2,4-Difluorobenzaldehyde1550-35-260 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 4-Fluoro-2-hydroxybenzaldehyde348-28-758 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 4-Chloro-2-methylbenzaldehyde40137-29-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 (R)-(4-Fluorophenyl)oxirane134356-73-3 4-Fluoro-3-methylbenzaldehyde135427-08-6 2-Fluoro-4-methylbenzaldehyde146137-80-6 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5

Elsewhere

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