CAS 179062-05-6 5-Amino-2-fluoro-4-nitrobenzotrifluoride (HCID 2737686)

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Basic information

CAS: 179062-05-6
Standard SMILES: Nc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-]
InChIKey: WOSGMZUIHAFPSS-UHFFFAOYSA-N
Molecular formula: C7H4F4N2O2
Average molar mass: 224.11 g/mol
Monoisotopic mass: 224.02089025

Names & identifiers

Preferred name: 5-Amino-2-fluoro-4-nitrobenzotrifluoride
IUPAC: 4-fluoro-2-nitro-5-(trifluoromethyl)aniline
English name: 5-AMINO-2-FLUORO-4-NITROBENZOTRIFLUORIDE
Molecular formula: C7H4F4N2O2
Molecular weight: 224.11

Names & synonyms

179062-05-65-Amino-2-fluoro-4-nitrobenzotrifluoride4-fluoro-2-nitro-5-(trifluoromethyl)anilineBenzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-MFCD030942674-FLUORO-2-NITRO-5-TRIFLUOROMETHYLANILINESCHEMBL462851DTXSID203722164-nitro-5-(trifluoromethyl)anilineCL8444SBB096612AKOS005259281

Show more names

5-AMINO-2-FLUORO-4-NITROBENZOTRIFLUORIDE ISO 9001：2015 REACH

DS-0839SB803783-amino-6-fluoro-4-nitrobenzotrifluorideSY101478CS-00979444-Fluoro-2-nitro-5-(trifluoromethyl)benzenamine4-fluoro-2-nitro-5-(trifluoromethyl)phenylamine4-Fluoro-2-nitro-5-(trifluoromethyl)aniline,98%

Database identifiers

CAS: 179062-05-6
PubChem CID: 2737686
DTXSID: DTXSID20372216

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 252

Physicochemical properties

Boiling point: 306.7 · 306.7±42.0 °C(Predicted)
Density: 1.586 · 1.586±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -1.56 · -1.56±0.25(Predicted)
form: Solid
color: Off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
HS Code: 2928009090 · 2928009090