4-Nitro-2-(trifluoromethyl)anisole
Properties
- Molecular formula
- C8H6F3NO3
- Molar mass
- 221.14 g/mol
- Exact mass
- 221.0300 Da
- Melting point
- 79–79.5 °C
- logP
- 2.62Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
654-76-2SMILES
COc1ccc([N+](=O)[O-])cc1C(F)(F)FInChIKey
KGFADEJSZXEVMC-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene
- Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-
- Anisole, 4-nitro-2-(trifluoromethyl)-
- 2-Methoxy-5-nitrobenzotrifluoride
- NSC 88331
- 2-Trifluoromethyl-4-nitroanisole
Work with 4-Nitro-2-(trifluoromethyl)anisole
Similar compounds
1,2-Dimethoxy-4-nitrobenzene709-09-165 % similar
4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-763 % similar
2-Fluoro-1-methoxy-4-nitrobenzene455-93-663 % similar
2-Methyl-5-nitrobenzotrifluoride89976-12-563 % similar
2,4-Dinitroanisole119-27-762 % similar
2-Fluoro-5-nitrobenzotrifluoride400-74-860 % similar
1-Methoxy-2-methyl-4-nitrobenzene50741-92-960 % similar
2-Methoxy-5-nitroaniline99-59-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds