3-Fluoro-5-nitroaniline
Basic information
- CAS
2369-12-2- Standard SMILES
Nc1cc(F)cc([N+](=O)[O-])c1- InChIKey
OPMFAZASMJCCOQ-UHFFFAOYSA-N- Molecular formula
- C6H5FN2O2
- Average molar mass
- 156.11 g/mol
- Monoisotopic mass
- 156.03350557
Names & identifiers
- Preferred name
- 3-Fluoro-5-nitroaniline
- IUPAC
- 3-fluoro-5-nitroaniline
- English name
- 5-Fluoro-3-nitroaniline
- Molecular formula
- C6H5FN2O2
- Molecular weight
- 156.11
Names & synonyms
3-Fluoro-5-nitroaniline5-Fluoro-3-nitroaniline2369-12-2Benzenamine, 3-fluoro-5-nitro-MFCD07368628SCHEMBL1944691DTXSID40178353AKOS010096965CS-W006572AC-3695GS-4284EN300-79571
Show more names
3-Fluoro-5-nitroaniline 95%3-Fluoro-5-nitro-1-benzenamine(3-fluoro-5-nitro-phenyl)amine
3-fluoro-5-nitro-anilineEINECS 219-129-0AM61857FT-0634228OPMFAZASMJCCOQ-UHFFFAOYSSY102866DB-046223NS00050048
Database identifiers
- CAS
2369-12-2- PubChem CID
- 75400
- DTXSID
DTXSID40178353- EC Number
- 219-129-0
- Nikkaji
- J213.224I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 314.3 · 314.3±22.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.24 · 1.24±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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