1,3-Difluoro-2-methyl-4-nitrobenzene

C₇H₅F₂NO₂CAS 79562-49-5173.12 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅F₂NO₂
Molar mass: 173.12 g/mol
Exact mass: 173.0288 Da
logP: 2.18Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79562-49-5

SMILES

CC1=C(C=CC(=C1F)[N+](=O)[O-])F

InChIKey

AVWNNVJXXMKAPB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2,6-Difluoro-3-nitrotoluene

Work with 1,3-Difluoro-2-methyl-4-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

2,3-Dimethyl-4-fluoronitrobenzene1736-87-475 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-769 % similar 3-Fluoro-2-methyl-6-nitroaniline485832-96-067 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-863 % similar 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-361 % similar 1,2-Difluoro-3-nitrobenzene6921-22-859 % similar 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-157 % similar 2,3-Difluoro-6-nitroaniline211693-73-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-4 2-Amino-4,6-difluorobenzoic acid126674-77-9 2-Amino-3,5-difluorobenzoic acid126674-78-0 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-0 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-4 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-0 4-Amino-2,3-difluorobenzoic acid194804-85-8 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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