4-Fluoro-2-nitro-6-(trifluoromethyl)aniline
Basic information
- CAS
344-29-6- Standard SMILES
Nc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F- InChIKey
XOQNQGVENLOUBD-UHFFFAOYSA-N- Molecular formula
- C7H4F4N2O2
- Average molar mass
- 224.11 g/mol
- Monoisotopic mass
- 224.02089025
Names & identifiers
- Preferred name
- 4-Fluoro-2-nitro-6-(trifluoromethyl)aniline
- IUPAC
- 4-fluoro-2-nitro-6-(trifluoromethyl)aniline
- English name
- 2-AMINO-5-FLUORO-3-NITROBENZOTRIFLUORIDE
- Molecular formula
- C7H4F4N2O2
- Molecular weight
- 224.11
Names & synonyms
4-fluoro-2-nitro-6-(trifluoromethyl)aniline344-29-62-Amino-5-fluoro-3-nitrobenzotrifluorideMFCD03094266NSC10316SCHEMBL8902847DTXSID20278845NSC-10316SBB096611AKOS016009645SB79580PS-10499
Show more names
2-Amino-5-fluoro-3-nitrobenzotrifluoride97%4-Fluoro-2-nitro-6-trifluoromethyl-phenylamine4-fluoro-2-nitro-6-(trifluoromethyl)BenzenamineBenzenamine, 4-fluoro-2-nitro-6-(trifluoromethyl)-
DB-069002CS-0104924D764974-fluoro-2-nitro-6-(trifluoromethyl)phenylamineF2373934-Fluoro-2-nitro-6-(trifluoromethyl)aniline, 2-Amino-5-fluoro-3-(trifluoromethyl)nitrobenzene
Database identifiers
- CAS
344-29-6- PubChem CID
- 223097
- DTXSID
DTXSID20278845
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 261.6 · 261.6±35.0 °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
- -2.82 · -2.82±0.25(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-5-fluoro-3-nitrobenzotrifluoride is a useful research intermediate, a substituted benzotrifluorides.
Suppliers
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Related reactions
5 records
Compound notes
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