Basic information
- CAS
203201-43-8- Standard SMILES
N#Cc1ccc([N+](=O)[O-])c(O)c1Br- InChIKey
GNXIUETVKJPRHQ-UHFFFAOYSA-N- Molecular formula
- C7H3BrN2O3
- Average molar mass
- 243.01 g/mol
- Monoisotopic mass
- 241.9327
Names & identifiers
- Preferred name
- 2-Bromo-3-hydroxy-4-nitrobenzonitrile
- IUPAC
- 2-bromo-3-hydroxy-4-nitrobenzonitrile
- English name
- 2-BroMo-3-hydroxy-4-nitrobenzonitrile
- Molecular formula
- C7H3BrN2O3
- Molecular weight
- 243.01432
Names & synonyms
2-Bromo-3-hydroxy-4-nitrobenzonitrile203201-43-8SCHEMBL6818112DTXSID40621495DB-014049
Database identifiers
- CAS
203201-43-8- PubChem CID
- 22014385
- DTXSID
DTXSID40621495
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H410
- Precautionary statements
- 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
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
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302-H315-H317-H318-H410
- Precautionary statements
- P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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