1,2-Difluoro-4-methyl-5-nitrobenzene

C₇H₅F₂NO₂CAS 127371-50-0173.12 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 Toxic if swallowed75% of notifiers
H302 Harmful if swallowed25% of notifiers
H311 Toxic in contact with skin75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H330 Fatal if inhaled25% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

127371-50-0

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])F)F

InChIKey

DJEBTFSOEQWELL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO2/c1-4-2-5(8)6(9)3-7(4)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

4,5-Difluoro-2-nitrotoluene

Work with 1,2-Difluoro-4-methyl-5-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-Fluoro-5-methyl-2,4-dinitrobenzene349-01-983 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-673 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-773 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-666 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-566 % similar 1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-059 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-359 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-358 % 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 1,4-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 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-5 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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