1,2,3-Trifluoro-4-nitrobenzene

C6H2F3NO2CAS 771-69-7177.08 g/mol

ON+O−FFF
Aryl halideNitro

Properties

Molecular formula
C6H2F3NO2
Molar mass
177.08 g/mol
Exact mass
177.0038 Da
Boiling point
92 °C (at 20 Torr)
logP
2.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
771-69-7
SMILES
O=[N+]([O-])c1ccc(F)c(F)c1F
InChIKey
ARCACZWMYGILNI-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,3-trifluoro-4-nitro-
  • 2,3,4-Trifluoronitrobenzene
  • 4-Nitro-1,2,3-trifluorobenzene
  • 2,3,4-Trifluoro-1-nitrobenzene

Work with 1,2,3-Trifluoro-4-nitrobenzene

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere