Basic information
- CAS
2402-98-4- Standard SMILES
N#Cc1cccc[n+]1[O-]- InChIKey
XXDJXMMIVUCDGP-UHFFFAOYSA-N- Molecular formula
- C6H4N2O
- Average molar mass
- 120.11 g/mol
- Monoisotopic mass
- 120.03236276
Names & identifiers
- Preferred name
- 2-Pyridinecarbonitrile, 1-oxide
- IUPAC
- 1-oxidopyridin-1-ium-2-carbonitrile
- English name
- pyridine-2-carbonitrile 1-oxide
- Molecular formula
- C6H4N2O
- Molecular weight
- 120.11
Names & synonyms
2402-98-4Pyridine-2-carbonitrile 1-oxide2-Pyridinecarbonitrile, 1-oxideDTXSID80178756RefChem:1064650DTXCID40101247219-286-52-Cyanopyridine 1-oxide2-cyanopyridinium-1-olate124463-97-41-oxidopyridin-1-ium-2-carbonitrile2-cyanopyridin-1-ium-1-olate
Show more names
Tripelennamine Impurity 42-carbonitrilepyridine 1-oxide
Picolinonitrile, 1-oxide2-Cyanopyridine oxide2-Cyanopyridine N-oxide2-Pyridinecarbonitrile 1-oxide2-Pyridinecarbonitrile,N-oxide(9CI)pyridine-2-carbonitrile1-oxidepyridine 1-oxide, 2-cyano-SCHEMBL805958
Database identifiers
- CAS
2402-98-4- PubChem CID
- 75466
- DTXSID
DTXSID80178756- EC Number
- 219-286-5
- Nikkaji
- J28.011I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 382.7 · 382.7±15.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -1.92 · -1.92±0.10(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers37 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
济南泺合医药技术有限公司86-0531-68658065 15726150375 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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