3-Fluoro-2-methyl-6-nitroaniline

C₇H₇FN₂O₂CAS 485832-96-0170.14 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₇FN₂O₂
Molar mass: 170.14 g/mol
Exact mass: 170.0492 Da
logP: 1.62Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

485832-96-0

SMILES

CC1=C(C=CC(=C1N)[N+](=O)[O-])F

InChIKey

CRPZQUGQOPIFPQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FN2O2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,9H2,1H3

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Names and synonyms

1 names

2-Amino-6-fluoro-3-nitrotoluene

Work with 3-Fluoro-2-methyl-6-nitroaniline

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

2,3-Dimethyl-4-fluoronitrobenzene1736-87-471 % similar 2,3-Difluoro-6-nitroaniline211693-73-167 % similar 2,3-Dimethyl-6-nitroaniline59146-96-267 % similar 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-567 % similar 2-Fluoro-6-nitrobenzenamine17809-36-859 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-859 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-855 % similar Ethyl 2-amino-6-fluoro-3-nitrobenzoate150368-37-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-N-methyl-5-nitroaniline110729-51-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook