Basic information
- CAS
98027-81-7- Standard SMILES
O=[N+]([O-])c1cc(Br)[n+]([O-])c(Br)c1- InChIKey
MJEDSUKRJRIBKE-UHFFFAOYSA-N- Molecular formula
- C5H2Br2N2O3
- Average molar mass
- 297.89 g/mol
- Monoisotopic mass
- 295.84322
Names & identifiers
- Preferred name
- 2,6-Dibromo-4-nitro-1-oxo-1lambda~5~-pyridine
- IUPAC
- 2,6-dibromo-4-nitro-1-oxidopyridin-1-ium
- English name
- 2,6-Dibromo-4-nitropyridine N-oxide
- Molecular formula
- C5H2Br2N2O3
- Molecular weight
- 297.89
Names & synonyms
98027-81-7DTXSID204523052,6-Dibromo-4-nitro-1-oxo-1lambda~5~-pyridineRefChem:248189DTXCID104031242,6-dibromo-4-nitropyridine oxide2,6-dibromo-4-nitropyridine 1-oxide2,6-dibromo-4-nitro-1-oxidopyridin-1-ium2,6-DIBROMO-4-NITROPYRIDINE N-OXIDEPyridine, 2,6-dibromo-4-nitro-, 1-oxideMFCD00233997SCHEMBL782341
Show more names
2,6-dibroMo-4-nitro-1$l^{5}-pyridin-1-one2,6-dibromo-4-nitropyridine 1-oxide - [AC78768]2,6-Dibromo-4-nitropyridine N-oxide ISO 9001：2015 REACH
MJEDSUKRJRIBKE-UHFFFAOYSA-NCS-M06992,6-dibromo-4-nitropyridine1-oxide4-nitro-2,6-dibromopyridine-N-oxide2,6-Dibromo-4-nitro-pyridin N-oxideAKOS005216857SB551132,6-dibromo-4-nitro pyridine 1-oxide
Database identifiers
- CAS
98027-81-7- PubChem CID
- 11022882
- DTXSID
DTXSID20452305- Nikkaji
- J819.699K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 222 °C · 222 °C(Solv: ethanol (64-17-5))
- Boiling point
- 456.1 · 456.1±40.0 °C(Predicted)
- Density
- 2.42 · 2.42±0.1 g/cm3(Predicted)
- pka
- -3.69 · -3.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers41 total
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Related reactions
8 records
Compound notes
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