2-Fluoro-4-methylbenzaldehyde

C₈H₇FOCAS 146137-80-6138.14 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

Warning

H302 Harmful if swallowed30% of notifiers
H312 Harmful in contact with skin30% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled30% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 10 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

146137-80-6

SMILES

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

InChIKey

MVDRIMBGRZBWPE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-4-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-Fluoro-5-methylbenzaldehyde93249-44-672 % similar 2,4-Difluorobenzaldehyde1550-35-260 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-158 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-656 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-156 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-856 % similar 5-Methylsalicylaldehyde613-84-356 % 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 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5 5-Fluoro-2-methylbenzaldehyde22062-53-9

Elsewhere

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