1-Bromo-2,5-difluoro-3-nitrobenzene
Basic information
- CAS
741721-51-7- Standard SMILES
O=[N+]([O-])c1cc(F)cc(Br)c1F- InChIKey
ROLNDFKAQIUDIV-UHFFFAOYSA-N- Molecular formula
- C6H2BrF2NO2
- Average molar mass
- 237.99 g/mol
- Monoisotopic mass
- 236.9237
Names & identifiers
- Preferred name
- 1-Bromo-2,5-difluoro-3-nitrobenzene
- IUPAC
- 1-bromo-2,5-difluoro-3-nitrobenzene
- English name
- 1-BroMo-2,5-difluoro-3-nitrobenzene
- Molecular formula
- C6H2BrF2NO2
- Molecular weight
- 237.99
Names & synonyms
1-Bromo-2,5-difluoro-3-nitrobenzene741721-51-7DTXSID60719944RefChem:228306DTXCID80670689964-945-9MFCD18205960Benzene, 1-bromo-2,5-difluoro-3-nitro-2.6-difluoro-3-nitrobromobenzene1-bromo-2,5-difluoro-3-nitro-benzeneSCHEMBL2132590AKOS016007479
Show more names
2,5-Difluoro-3-bromonitrobenzene2,5-Difluoro-3-nitrobromobenzene3-BroMo-2,5-difluoronitrobenzene-BroMo-2,5-difluoro-3-nitrobenzeneCarbonodithioicacid,O-ethylester,potassiumsalt(1:4)1-BroMo-2,5-difluoro-3-nitrobenzene ISO 9001：2015 REACH
CS-W018872AMY28342SCHEMBL296177211-bromo-2,5-difluoro-3-nitro-bDS-15635SY242087F233983
Database identifiers
- CAS
741721-51-7- PubChem CID
- 56973645
- DTXSID
DTXSID60719944- EC Number
- 964-945-9
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
- 257 ℃ · 257℃
- Density
- 1.89 · 1.890
- Flash point
- 109 ℃ · 109℃
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- Clear, pale amber / lime
- InChI
- InChI=1S/C6H2BrF2NO2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H
- InChIKey
- ROLNDFKAQIUDIV-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(F)=CC([N+]([O-])=O)=C1F
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2904990090
Chemistry & industry
Applications
Uses1-Bromo-2,5-difluoro-3-nitrobenzene is a nitrobenzene compound containing bromine and fluorine substituents on its benzene ring structure, which can be used as a chemical reaction reagent or organic synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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