1-Fluoro-2-methyl-3-nitrobenzene

C₇H₆FNO₂CAS 769-10-8155.13 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
Boiling point: 91–92 °C (at 8 Torr)
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin97.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.9% 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, 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

769-10-8

SMILES

Cc1c(F)cccc1[N+](=O)[O-]

InChIKey

GXPIVRKDWZKIKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-fluoro-2-methyl-3-nitro-
Toluene, 2-fluoro-6-nitro-
6-Fluoro-2-nitrotoluene
6-Nitro-2-fluorotoluene
2-Fluoro-6-nitrotoluene
2-Methyl-3-fluoronitrobenzene
NSC 10333

Work with 1-Fluoro-2-methyl-3-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

2,6-Dinitrotoluene606-20-272 % similar 2,3-Dimethyl-4-fluoronitrobenzene1736-87-472 % similar 1,2-Difluoro-3-nitrobenzene6921-22-866 % similar 3-Nitro-o-xylene83-41-066 % similar 1-Fluoro-2-nitrobenzene1493-27-265 % similar 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-563 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-962 % similar 2-Bromo-6-nitrotoluene55289-35-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook