1-Chloro-5-fluoro-4-methyl-2-nitrobenzene

C₇H₅ClFNO₂CAS 18349-11-6189.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅ClFNO₂
Molar mass: 189.57 g/mol
Exact mass: 188.9993 Da
logP: 2.70Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18349-11-6

SMILES

Cc1cc([N+](=O)[O-])c(Cl)cc1F

InChIKey

SJDPAVRCQNFVDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-
Toluene, 4-chloro-2-fluoro-5-nitro-
4-Chloro-2-fluoro-5-nitrotoluene
2-Chloro-4-fluoro-5-methylnitrobenzene

Work with 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene

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

1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar 5-Chloro-2,4-dinitrotoluene51676-74-566 % similar 6-Chloro-4-nitro-o-toluidine13852-51-263 % similar 5-Fluoro-4-methyl-2-nitrophenol83341-28-063 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-863 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-060 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-058 % similar 4,5-Dichloro-2-nitrotoluene7494-45-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-6 Methyl2-chloro-5-fluoronicotinate847729-27-5

Elsewhere

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