Methyl 2-cyanoisonicotinate

Modify Date: 2025-08-23 18:57:58

Methyl 2-cyanoisonicotinate Structure
Methyl 2-cyanoisonicotinate structure
Common Name Methyl 2-cyanoisonicotinate
CAS Number 94413-64-6 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 296.6±25.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 107-109℃
MSDS N/A Flash Point 133.2±23.2 °C

 Names

Name Methyl 2-cyanoisonicotinate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 296.6±25.0 °C at 760 mmHg
Melting Point 107-109℃
Molecular Formula C8H6N2O2
Molecular Weight 162.145
Flash Point 133.2±23.2 °C
Exact Mass 162.042923
PSA 62.98000
LogP 0.85
Appearance of Characters Solid | Pale brown
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.536
Water Solubility Slightly Soluble in water (6.2 g/L) (25°C).

 Safety Information

Hazard Codes Xi
HS Code 2933399090

 Synthetic Route

~58%

Methyl 2-cyanoisonicotinate Structure

Methyl 2-cyanoi...

CAS#:94413-64-6

Literature: GENENTECH,INC.; FORMA TM, LLC; BAIR, Kenneth W.; BAUMEISTER, Timm R.; BUCKMELTER, Alexandre J.; CLODFELTER, Kanl H.; DRAGOVICH, Peter; HAN, Bingsong; LIN, Jian; LIU, Xiongcai; REYNOLDS, Dominic J.; SMITH, Chase C.; WANG, Zhongguo; YUEN, Po-Wai; ZAK, Mark; ZHANG, Yamin; ZHENG, Xiaozhang; ZHAO, Guiling Patent: WO2013/127268 A1, 2013 ; Location in patent: Page/Page column 71; 72 ;

~64%

Methyl 2-cyanoisonicotinate Structure

Methyl 2-cyanoi...

CAS#:94413-64-6

Literature: Sato, Nagaaki; Ando, Makoto; Ishikawa, Shiho; Jitsuoka, Makoto; Nagai, Keita; Takahashi, Hirobumi; Sakuraba, Aya; Tsuge, Hiroyasu; Kitazawa, Hidefumi; Iwaasa, Hisashi; Mashiko, Satoshi; Gomori, Akira; Moriya, Ryuichi; Fujino, Naoko; Ohe, Tomoyuki; Ishihara, Akane; Kanatani, Akio; Fukami, Takehiro Journal of Medicinal Chemistry, 2009 , vol. 52, # 10 p. 3385 - 3396

~%

Methyl 2-cyanoisonicotinate Structure

Methyl 2-cyanoi...

CAS#:94413-64-6

Literature: EP1471065 A1, ; Page 7 ;

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Methyl 2-cyanoisonicotinate Structure

Methyl 2-cyanoi...

CAS#:94413-64-6

Literature: US6509361 B1, ; US 6509361 B1

~%

Methyl 2-cyanoisonicotinate Structure

Methyl 2-cyanoi...

CAS#:94413-64-6

Literature: WO2013/127268 A1, ;

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-Cyano-4-pyridine carboxylic acid methyl ester
Methyl 2-cyanoisonicotinate
4-Pyridinecarboxylic acid, 2-cyano-, methyl ester
methyl 2-cyanopyridine-4-carboxylate
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