5-Fluoro-1,2-dimethyl-3-nitrobenzene
Basic information
- CAS
185207-28-7- Standard SMILES
Cc1cc(F)cc([N+](=O)[O-])c1C- InChIKey
SRKOJRWSFHYMMT-UHFFFAOYSA-N- Molecular formula
- C8H8FNO2
- Average molar mass
- 169.15 g/mol
- Monoisotopic mass
- 169.05390666
Names & identifiers
- Preferred name
- 5-Fluoro-1,2-dimethyl-3-nitrobenzene
- IUPAC
- 5-fluoro-1,2-dimethyl-3-nitrobenzene
- English name
- 5-Fluoro-1,2-dimethyl-3-nitro-benzene
- Molecular formula
- C8H8FNO2
- Molecular weight
- 169.15
Names & synonyms
5-Fluoro-1,2-dimethyl-3-nitrobenzene185207-28-75-Fluoro-1,2-dimethyl-3-nitro-benzeneSCHEMBL10685212DTXSID406030341,2-Dimethyl-5-fluoro-3-nitrobenzeneDS-001497Benzene, 5-fluoro-1,2-dimethyl-3-nitro-
Database identifiers
- CAS
185207-28-7- PubChem CID
- 20154045
- DTXSID
DTXSID40603034
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 248.7 · 248.7±35.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-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
- P261-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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