2-Nitro-alpha,alpha,alpha-trifluorotoluene
Properties
- Molecular formula
- C7H4F3NO2
- Molar mass
- 191.11 g/mol
- Exact mass
- 191.0194 Da
- Melting point
- 32.5 °C
- Boiling point
- 217 °C
- Flash point
- 95.6 °C
- logP
- 2.61Crippen estimate
- Polar surface area
- 43.1 Ų
- 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
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled50% of notifiers
- H331 Toxic 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
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
384-22-5SMILES
O=[N+]([O-])c1ccccc1C(F)(F)FInChIKey
NDZJSUCUYPZXPR-UHFFFAOYSA-NInChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Nitrobenzotrifluoride
- Benzene, 1-nitro-2-(trifluoromethyl)-
- Toluene, α,α,α-trifluoro-o-nitro-
- 1-Nitro-2-(trifluoromethyl)benzene
- o-Nitrobenzotrifluoride
- 2-Nitro-α,α,α-trifluorotoluene
- α,α,α-Trifluoro-o-nitrotoluene
- o-(Trifluoromethyl)nitrobenzene
- 2-(Trifluoromethyl)nitrobenzene
Work with 2-Nitro-alpha,alpha,alpha-trifluorotoluene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-170 % similar
2-Fluoro-3-nitrobenzotrifluoride61324-97-870 % similar
2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-168 % similar
2,5-Bis(trifluoromethyl)nitrobenzene320-88-762 % similar
4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-960 % similar
1,2-Dinitrobenzene528-29-059 % similar
5-Chloro-2-nitrobenzotrifluoride118-83-258 % similar
4-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
3-Amino-2,4,5-trifluorobenzoic acid119385-80-7
5-(Trifluoromethyl)nicotinic acid131747-40-5
2-(Trifluoromethyl)isonicotinic acid131747-41-6
6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7
2-(Trifluoromethyl)nicotinic acid131747-43-8
3-Amino-2,5,6-trifluorobenzoic acid133622-65-8
4-(Trifluoromethyl)nicotinic acid158063-66-2
6-Trifluoromethylnicotinic acid231291-22-8