5-Fluoro-M-xylene

C₈H₉FCAS 461-97-2124.16 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₉F
Molar mass: 124.16 g/mol
Exact mass: 124.0688 Da
logP: 2.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor11.1% of notifiers
H226 Flammable liquid and vapor88.9% of notifiers
H315 Causes skin irritation22.2% of notifiers
H319 Causes serious eye irritation22.2% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

461-97-2

SMILES

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

InChIKey

RCWIWNUVHNAUQC-UHFFFAOYSA-N

InChI

InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

1-Fluoro-3,5-dimethyl-benzene

Work with 5-Fluoro-M-xylene

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

3,5-Difluorotoluene117358-51-788 % similar 3-Fluoro-5-methylphenol216976-31-767 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-664 % similar 3-Fluoro-5-methylaniline52215-41-564 % similar Mesitylene108-67-860 % similar 3-Fluorotoluene352-70-557 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-556 % similar 3-Fluoro-5-methylbenzonitrile216976-30-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluoro-o-xylene443-82-3 2-Fluoro-1,3-dimethylbenzene443-88-9 4-Fluoro-1,2-dimethylbenzene452-64-2 1-Ethyl-4-fluorobenzene459-47-2

Elsewhere

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