54585-47-6

• 常用中文名：3-氰基-4,6-二甲基-2-硫基吡啶
• 常用英文名：4,6-dimethyl-2-sulfanylnicotinonitrile
• CAS号：54585-47-6
• 分子式：C₈H₈N₂S
• 分子量：164.227
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 氰基吡啶
• 发布时间：2018-12-23 15:26:05
• 更新时间：2024-01-04 11:38:03

名称

• 中文名: 3-氰基-4,6-二甲基-2-硫基吡啶
• 英文名: 3-Cyano-4,6-Dimethyl-2-Mercaptopyridine
• 中文别名: 4,6-二甲基-3-氰基吡啶-2(1H)-硫酮; 2-巯基-4,6-二甲基烟腈; 3-氰基-4,6-二甲基-2-疏基吡啶
• 英文别名: 4,6-dimethyl-2-sulfanylnicotinonitrile; 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile; 4,6-Dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile; 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-; MFCD00051684; 3-pyridinecarbonitrile, 2-mercapto-4,6-dimethyl-; 4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 249.8±43.0 °C at 760 mmHg
• 熔点: 274ºC (dec.)
• 分子式: C₈H₈N₂S
• 分子量: 164.227
• 闪点: 104.9±28.2 °C
• 精确质量: 164.040817
• PSA: 75.48000
• LogP: 1.18
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.609
• 储存条件: 室温，干燥

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : US4201380 CHEMICAL NAME : 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo- CAS REGISTRY NUMBER : 54585-47-6 LAST UPDATED : 199012 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C8-H8-N2-S MOLECULAR WEIGHT : 164.24 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >2500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,313,1985

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: UN 3276
• RTECS号: US4201380
• 包装等级: III
• 海关编码: 2933399090

合成路线

7357-70-2 123-54-6 ~96% 54585-47-6

文献：Narushyavichus, E. V.; Garalene, V. N.; Krauze, A. A.; Dubur, G. Ya. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 983 - 986 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1459 - 1463

6623-21-8 ~% 54585-47-6

文献：US4631081 A1, ;

5875-28-5 123-54-6 ~90% 54585-47-6

文献：Negm, Abdalla M.; El-Aal, Fatma Abd El-Maksoud Abd; Hafez, Ebtisam A.; Elnagdi, Mohamed H.; Mostafa, Yasser M. N. Phosphorus, Sulfur and Silicon and the Related Elements, 1995 , vol. 106, # 1-4 p. 1 - 8

129224-51-7 123-54-6 ~79% 54585-47-6

文献：Dyachenko; Chernega Russian Journal of Organic Chemistry, 2004 , vol. 40, # 3 p. 397 - 406

129224-53-9 123-54-6 ~85% 54585-47-6

文献：Dyachenko; Chernega Russian Journal of Organic Chemistry, 2004 , vol. 40, # 3 p. 397 - 406

63913-42-8 7357-70-2 ~98% 54585-47-6

文献：Ratemi; Namdev; Gibson Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 6 p. 1513 - 1516

上下游产品

上游产品  7
7357-70-2 123-54-6 6623-21-8 5875-28-5
129224-51-7 129224-53-9 63913-42-8
下游产品  10
52505-42-7 58327-76-7 41601-44-9 128918-28-5
128918-14-9 52505-56-3 14237-71-9 72456-86-1
67795-42-0 835626-21-6

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
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%