4-Fluoro-3-nitrobenzotrifluoride

C₇H₃F₄NO₂CAS 367-86-2209.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃F₄NO₂
Molar mass: 209.10 g/mol
Exact mass: 209.0100 Da
Boiling point: 92 °C (at 15 Torr)
logP: 2.75Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor87.8% of notifiers
H302 Harmful if swallowed12.2% of notifiers
H311 Toxic in contact with skin10.2% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled10.2% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

367-86-2

SMILES

O=[N+]([O-])c1cc(C(F)(F)F)ccc1F

InChIKey

HLDFCCHSOZWKAA-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

Weigh it out

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

Names and synonyms

11 names

Benzene, 1-fluoro-2-nitro-4-(trifluoromethyl)-
Toluene, α,α,α,4-tetrafluoro-3-nitro-
1-Fluoro-2-nitro-4-(trifluoromethyl)benzene
α,α,α,4-Tetrafluoro-3-nitrotoluene
3-Nitro-4-fluorobenzotrifluoride
4-Fluoro-3-nitrobenzofluoride
4-Trifluoromethyl-2-nitro-1-fluorobenzene
2-Fluoro-5-(trifluoromethyl)nitrobenzene
NSC 10303
2-Nitro-4-(trifluoromethyl)fluorobenzene
2-Fluoro-5-trifluoromethyl-1-nitrobenzene

Work with 4-Fluoro-3-nitrobenzotrifluoride

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

2,5-Bis(trifluoromethyl)nitrobenzene320-88-769 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-965 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-565 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-165 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-665 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-765 % similar 2,5-Difluoronitrobenzene364-74-962 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-0 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 2-Fluoro-5-nitrobenzotrifluoride400-74-8 3-Fluoro-4-nitrobenzotrifluoride402-12-0 2-Fluoro-3-nitrobenzotrifluoride61324-97-8 2-Fluoro-4-nitrobenzotrifluoride69411-67-2 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-4 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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