2-Nitro-4-(trifluoromethyl)phenol

C7H4F3NO3CAS 400-99-7207.11 g/mol

Open in Covalent MOL file
ON+O−FFFHO
Alkyl halideNitroPhenol

Properties

Molecular formula
C7H4F3NO3
Molar mass
207.11 g/mol
Exact mass
207.0143 Da
Boiling point
92–94 °C
logP
2.32Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
400-99-7
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1O
InChIKey
XZEDEVRSUANQEM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Phenol, 2-nitro-4-(trifluoromethyl)-
  • p-Cresol, α,α,α-trifluoro-2-nitro-
  • o-Nitro-p-(trifluoromethyl)phenol
  • 4-(Trifluoromethyl)-2-nitrophenol
  • 4-Hydroxy-3-nitrobenzotrifluoride

Work with 2-Nitro-4-(trifluoromethyl)phenol

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

4-tert-Butyl-2-nitrophenol3279-07-068 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-767 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-265 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-764 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-164 % similar 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-563 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-163 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethoxy)nitrobenzene1644-88-8 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-8 3-Nitro-4-(trifluoromethyl)phenol25889-36-5 1-Nitro-3-(trifluoromethoxy)benzene2995-45-1 3-Hydroxy-5-nitrobenzotrifluoride349-57-5 4-(Trifluoromethoxy)nitrobenzene713-65-5 Tfm (piscicide)88-30-2

Elsewhere

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