2-Bromo-3,4-difluoro-1-nitrobenzene
Basic information
- CAS
350699-92-2- Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1Br- InChIKey
OANBJAYTIQWYDQ-UHFFFAOYSA-N- Molecular formula
- C6H2BrF2NO2
- Average molar mass
- 237.99 g/mol
- Monoisotopic mass
- 236.9237
Names & identifiers
- Preferred name
- 2-Bromo-3,4-difluoro-1-nitrobenzene
- IUPAC
- 3-bromo-1,2-difluoro-4-nitrobenzene
- English name
- 2-Bromo-3,4-Difluoronitrobenzene
- Molecular formula
- C6H2BrF2NO2
- Molecular weight
- 237.99
Names & synonyms
2-Bromo-3,4-difluoro-1-nitrobenzene2-Bromo-3,4-difluoronitrobenzene3-bromo-1,2-difluoro-4-nitrobenzeneBENZENE, 2-BROMO-3,4-DIFLUORO-1-NITRO-V85K7N7JGSDTXSID90341631RefChem:197690DTXCID10292712350699-92-2MFCD018205903-Bromo-1,2-difluoro-4-nitro-benzene2-Bromo-3, 4-difluoro-nitrobenzene
Show more names
1-Bromo-2,3-difluoro-6-nitrobenzene2-Bromo-3,4-Difluoronitrobenzene ISO 9001：2015 REACH
2-Bromo-3,4-difluoro nitrobenzene2-bromo-3,4-difluoro-1-nitro-benzeneUNII-V85K7N7JGSSCHEMBL632916SCHEMBL29793298MP 1032 [WHO-DD]STK675783AKOS005594035
Database identifiers
- CAS
350699-92-2- PubChem CID
- 574589
- DTXSID
DTXSID90341631- UNII
- V85K7N7JGS
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 227 ℃ · 227℃
- Density
- 1.89 · 1.890
- Flash point
- 91 ℃ · 91℃
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 85 K7N7JGS · V85K7N7JGS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2904990090 · 2904990090
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
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-3,4-Difluoronitrobenzene is a nitrobenzene compound containing substituent bromine and fluorine atoms on its benzene ring structure, which can be used to prepare biosmall molecule inhibitors or other organic heterocyclic compounds.
Suppliers
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Related reactions
2 records
Compound notes
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