6277-02-7

• 常用中文名：Benzeneacetonitrile, alpha-(1-oxopropyl)- (9CI)
• 常用英文名：Benzeneacetonitrile, alpha-(1-oxopropyl)- (9CI)
• CAS号：6277-02-7
• 分子式：C₁₁H₁₁NO
• 分子量：173.21100
• 发布时间：2017-07-02 15:45:21
• 更新时间：2024-01-09 08:34:47

名称

• 英文名: 3-oxo-2-phenylpentanenitrile
• 英文别名: 2-Oxo-2-phenylvaleronitrile; Valeronitrile,3-oxo-2-phenyl; 3-oxo-2-phenyl-valeronitrile; 2-Butanone,1-cyano-1-phenyl; Phenyl-propionyl-essigsaeurenitril; 3-oxo-2-phenyl-pentanenitrile; 3-Oxo-2-phenyl-valeronitril; USAF EL-86; 1-Cyano-1-phenyl-2-butanone

物化性质

• 密度: 1.062g/cm3
• 沸点: 253.9ºC at 760 mmHg
• 分子式: C₁₁H₁₁NO
• 分子量: 173.21100
• 闪点: 107.3ºC
• 精确质量: 173.08400
• PSA: 40.86000
• LogP: 2.27288
• 折射率: 1.521

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YV8640000 CHEMICAL NAME : Valeronitrile, 3-oxo-2-phenyl- CAS REGISTRY NUMBER : 6277-02-7 BEILSTEIN REFERENCE NO. : 2692970 LAST UPDATED : 199706 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H11-N-O MOLECULAR WEIGHT : 173.23 WISWESSER LINE NOTATION : NCYR&V2 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 : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

合成路线

140-29-4 105-37-3 ~97% 6277-02-7

文献：Ji, Yaohui; Trenkle, William C.; Vowles, James V. Organic Letters, 2006 , vol. 8, # 6 p. 1161 - 1163

554-12-1 140-29-4 ~84% 6277-02-7

文献：Holsworth, Daniel D.; Stier, Michael; Edmunds, Jeremy J.; He, Wei; Place, Samuel; Maiti, Samarendra Synthetic Communications, 2003 , vol. 33, # 20 p. 3467 - 3475

79-03-8 140-29-4 ~% 6277-02-7

文献：Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth Journal of Medicinal Chemistry, 2002 , vol. 45, # 6 p. 1244 - 1252

105-37-3 ~% 6277-02-7

文献：Levine; Hauser Journal of the American Chemical Society, 1946 , vol. 68, p. 760

103987-29-7 ~% 6277-02-7

文献：Yasuda Yakugaku Zasshi, 1959 , vol. 79, p. 623,626 Chem.Abstr., 1959 , p. 21885

71660-00-9 140-29-4 ~% 6277-02-7

文献：Dimroth; Feuchter Chemische Berichte, 1903 , vol. 36, p. 2239 Anm.5 Full Text Show Details Walther; Schickler Journal fuer Praktische Chemie (Leipzig), 1897 , vol. <2> 55, p. 323

26388-11-4 105-37-3 ~% 6277-02-7

文献：Bodroux Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1910 , vol. 151, p. 235 Bulletin de la Societe Chimique de France, 1910 , vol. <4> 7, p. 847,850

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