Basic information
- CAS
43083-13-2- Standard SMILES
N#Cc1ccc(-c2ccccc2)[nH]c1=O- InChIKey
KTUZHAVCKLQHCN-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Names & identifiers
- Preferred name
- 2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
- English name
- 2-Oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C12H8N2O
- Molecular weight
- 196.2
Names & synonyms
43083-13-22-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile2-oxo-6-phenyl-1H-pyridine-3-carbonitrile2-Oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile2-hydroxy-6-phenylpyridine-3-carbonitrileMFCD00202791F3305-05952-hydroxy-6-phenylnicotinonitrile2-oxo-6-phenylhydropyridine-3-carbonitrileNSC918583-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-Cambridge id 5690603
Show more names
3-Cyano-2-hydroxy-6-phenylpyridine2-keto-6-phenyl-1H-pyridine-3-carbonitrile
Oprea1_462017Oprea1_714739SCHEMBL4474609DTXSID30293746KTUZHAVCKLQHCN-UHFFFAOYSA-NHMS1582G08SMSSF-0056320BBL028385
Database identifiers
- CAS
43083-13-2- PubChem CID
- 260511
- DTXSID
DTXSID30293746- EC Number
- 809-371-0
- Nikkaji
- J1.226.587E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 353 · 353-355°
- Boiling point
- 437 · 437.0±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 7.73 · 7.73±0.10(Predicted)
- form
- solid
- InChI
- 1S/C12H8N2O/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
- InChIKey
- KTUZHAVCKLQHCN-UHFFFAOYSA-N
- SMILES
- Oc1nc(ccc1C#N)-c2ccccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers15 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
录泰科技（上海）有限公司13761627472 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…