| Identification | More | [Name]
6-CYANONICOTINIC ACID | [CAS]
70165-31-0 | [Synonyms]
2-CYANO-5-CARBOXYPYRIDINE
6-CYANONICOTINIC ACID
6-CYANOPYRIDINE-3-CARBOXYLIC ACID
5-Carboxypicolinonitrile~2-Cyano-5-carboxypyridine~6-Cyanopyridine-3-carboxylic acid
5-carboxypicolinonitrile
3-Pyridinecarboxylicacid,6-cyano-(9CI)
6-Cyanonicotinic acid ,97% | [EINECS(EC#)]
626-716-9 | [Molecular Formula]
C7H4N2O2 | [MDL Number]
MFCD01318135 | [Molecular Weight]
148.12 | [MOL File]
70165-31-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
190-194 °C(lit.)
| [Boiling point ]
395.9±27.0 °C(Predicted) | [density ]
1.42±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Soluble in alcohol. | [form ]
Oil | [pka]
2.81±0.10(Predicted) | [color ]
Clear Yellow | [Detection Methods]
HPLC | [BRN ]
4384027 | [InChI]
1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11) | [InChIKey]
WMHSQCDPPJRWIL-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(nc1)C#N | [CAS DataBase Reference]
70165-31-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
6-Cyanonicotinic acid, is used in medicine | [Synthesis]
The general procedure for the synthesis of 6-cyanonicotinic acid from oxonicotinic acid and sodium cyanide was as follows: to a 1.2 L DMF solution of oxonicotinic acid N-oxide (51 g, 0.37 mol) was added sodium cyanide (54 g, 1.1 mol), triethylamine (255 mL, 1.83 mol), and trimethylchlorosilane (185 mL). The reaction mixture was stirred at 110 °C for 10 h. After completion of the reaction, filtration was performed and the filtrate was concentrated. The residue was dissolved in 100 mL of 2N hydrochloric acid and extracted with dichloromethane. The organic layers were combined, concentrated and recrystallized from water to give 12 g (22% yield) of 6-cyanonicotinic acid. | [References]
[1] Synthesis, 1983, # 4, p. 316 - 319
[2] Chemical Communications, 2004, # 15, p. 1770 - 1771
[3] Patent: WO2003/101956, 2003, A1. Location in patent: Page 113; 114
[4] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 4, p. 385 - 389 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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