2-Nitro-4-trifluoromethylanisole
Properties
- Molecular formula
- C8H6F3NO3
- Molar mass
- 221.14 g/mol
- Exact mass
- 221.0300 Da
- Melting point
- 47–49 °C
- Boiling point
- 90–95 °C (at 0.5 Torr)
- 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 damage95.6% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
394-25-2SMILES
COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]InChIKey
MAAFHLOZHBKYTG-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 4-Methoxy-3-nitrobenzotrifluoride
- Benzene, 1-methoxy-2-nitro-4-(trifluoromethyl)-
- Anisole, 2-nitro-4-(trifluoromethyl)-
- 1-Methoxy-2-nitro-4-(trifluoromethyl)benzene
- 2-Nitro-4-(trifluoromethyl)anisole
- NSC 88325
- 1-Methoxy-2-nitro-4-trifluoromethylbenzene
Work with 2-Nitro-4-trifluoromethylanisole
Similar compounds
4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride1996-69-676 % similar
4-Fluoro-2-nitroanisole445-83-064 % similar
2-Nitro-4-(trifluoromethyl)aniline400-98-663 % similar
2-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether2069-14-962 % similar
2,4-Dinitroanisole119-27-762 % similar
2,5-Bis(trifluoromethyl)nitrobenzene320-88-762 % similar
1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar
4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride56191-23-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds