2,6-Dinitro-4-(trifluoromethyl)phenol
Properties
- Molecular formula
- C7H3F3N2O5
- Molar mass
- 252.11 g/mol
- Exact mass
- 251.9994 Da
- Melting point
- 47–48 °C
- logP
- 2.23Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 2
Hazards
Danger
- H228 Flammable solid33.3% of notifiers
- H252 Self-heating in large quantities; may catch fire33.3% of notifiers
- H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H300 Fatal if swallowed66.7% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H310 Fatal in contact with skin66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H330 Fatal if inhaled66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P235, P240, P241, 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+P233, P405, P407, P410, P413, P420, P501
Identifiers
CAS number
393-77-1SMILES
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OInChIKey
FXZGYEWQIGIFMC-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Phenol, 2,6-dinitro-4-(trifluoromethyl)-
- p-Cresol, α,α,α-trifluoro-2,6-dinitro-
- 4-(Trifluoromethyl)-2,6-dinitrophenol
- 4-Hydroxy-3,5-dinitrobenzotrifluoride
Work with 2,6-Dinitro-4-(trifluoromethyl)phenol
Similar compounds
4-Chloro-3,5-dinitrobenzotrifluoride393-75-965 % similar
4-tert-Butyl-2,6-dinitrophenol4097-49-865 % similar
4-Amino-3,5-dinitrobenzotrifluoride445-66-965 % similar
2-Nitro-4-(trifluoromethyl)phenol400-99-764 % similar
2,6-Dinitro-4-fluorophenol364-32-963 % similar
3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-161 % similar
3,4-Difluoro-5-nitrobenzotrifluoride101646-01-959 % similar
Picric acid88-89-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.