4-Fluoro-2-nitrophenoxyacetic acid
Basic information
- CAS
396-15-6- Standard SMILES
O=C(O)COc1ccc(F)cc1[N+](=O)[O-]- InChIKey
HJYGFQJZJGUBLQ-UHFFFAOYSA-N- Molecular formula
- C8H6FNO5
- Average molar mass
- 215.13 g/mol
- Monoisotopic mass
- 215.02300045
Names & identifiers
- Preferred name
- 4-Fluoro-2-nitrophenoxyacetic acid
- IUPAC
- 2-(4-fluoro-2-nitrophenoxy)acetic acid
- English name
- Acetic acid,2-(4-fluoro-2-nitrophenoxy)-
- Molecular formula
- C8H6FNO5
- Molecular weight
- 215.14
Names & synonyms
4-Fluoro-2-nitrophenoxyacetic acid396-15-6(4-fluoro-2-nitrophenoxy)acetic acid2-(4-fluoro-2-nitrophenoxy)acetic acidNSC10230Acetic acid,2-(4-fluoro-2-nitrophenoxy)-SCHEMBL2599653SCHEMBL10508964DTXSID602788244-Fluoro-2-nitrophenoxyaceticacidMFCD16742729NSC-10230
Show more names
AKOS0116554472-(4-fluoro-2-nitro-phenoxy)acetic acidBS-25095CS-0210120
Database identifiers
- CAS
396-15-6- PubChem CID
- 223071
- DTXSID
DTXSID60278824
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 125 °C · 125 °C(Solv: benzene (71-43-2))
- Boiling point
- 405.6 · 405.6±30.0 °C(Predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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