Alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene
Properties
- Molecular formula
- C8H6F3NO2
- Molar mass
- 205.14 g/mol
- Exact mass
- 205.0351 Da
- Boiling point
- 100 °C (at 11 Torr)
- logP
- 2.92Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H227 Combustible liquid12.5% of notifiers
- H301 Toxic if swallowed62.5% of notifiers
- H302 Harmful if swallowed37.5% of notifiers
- H311 Toxic in contact with skin62.5% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation87.5% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation37.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, 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, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
6656-49-1SMILES
Cc1c([N+](=O)[O-])cccc1C(F)(F)FInChIKey
KQUQBPVYIURTNZ-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2-Methyl-1-nitro-3-(trifluoromethyl)benzene
- Benzene, 2-methyl-1-nitro-3-(trifluoromethyl)-
- o-Xylene, α1,α1,α1-trifluoro-3-nitro-
- 2-Methyl-3-(trifluoromethyl)nitrobenzene
- 2-(Trifluoromethyl)-6-nitrotoluene
- 2-Nitro-6-trifluoromethyltoluene
- 2-Methyl-3-nitrobenzotrifluoride
- 2-Methyl-3-nitro-1-trifluoromethylbenzene
Work with Alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene
Similar compounds
2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-568 % similar
2,6-Dinitrotoluene606-20-266 % similar
2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-165 % similar
2-Fluoro-3-nitrobenzotrifluoride61324-97-865 % similar
3-Nitro-o-xylene83-41-060 % similar
1-Fluoro-2-methyl-3-nitrobenzene769-10-859 % similar
2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene115571-67-059 % similar
2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3
2-(Trifluoromethoxy)benzamide127979-74-2
4-(Trifluoromethoxy)benzaldoxime150162-39-3
Methyl 4-(trifluoromethyl)nicotinate175204-82-7
2-Methyl-4-nitrobenzotrifluoride1960-52-7
Methyl 6-(trifluoromethyl)nicotinate221313-10-6
2-Methyl-6-(trifluoromethyl)nicotinic acid261635-93-2
2-Amino-3-(trifluoromethyl)benzoic acid313-12-2