1-Bromo-2-iodo-4-nitrobenzene
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Basic information
- CAS
63037-63-8- Standard SMILES
O=[N+]([O-])c1ccc(Br)c(I)c1- InChIKey
AWBNZHRQRUEANT-UHFFFAOYSA-N- Molecular formula
- C6H3BrINO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 326.83919
Names & identifiers
- Preferred name
- 1-Bromo-2-iodo-4-nitrobenzene
- IUPAC
- 1-bromo-2-iodo-4-nitrobenzene
- English name
- 1-Bromo-2-iodo-4-nitrobenzene
- Molecular formula
- C6H3BrINO2
- Molecular weight
- 327.9
Names & synonyms
1-bromo-2-iodo-4-nitrobenzeneDTXSID30285904RefChem:430297DTXCID40237055976-875-64-Bromo-3-iodonitrobenzene63037-63-8MFCD17012734Benzene, 1-bromo-2-iodo-4-nitro-NSC43208SCHEMBL5066790NCA03763
Show more names
NSC-43208AKOS017325176DS-10428SY304146DB-126849CS-0041002EN300-65603W18337
Database identifiers
- CAS
63037-63-8- PubChem CID
- 238692
- DTXSID
DTXSID30285904- EC Number
- 976-875-6
- Nikkaji
- J541.100I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 330.6 · 330.6±22.0 °C(Predicted)
- Density
- 2.349 · 2.349±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- crystalline powder
- color
- Reddish dark brown
- 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.
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Bromo-2-iodo-4-nitrobenzene is used as a reactant in the iodination of deactivated aromatics with N-iodosuccinimide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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