81518-37-8

• 常用中文名：(6Z)-6-[5-(Butylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one
• 常用英文名：(6Z)-6-[5-(Butylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one
• CAS号：81518-37-8
• 分子式：C₁₈H₁₉N₃OS
• 分子量：325.42800
• 发布时间：2017-09-30 23:03:03
• 更新时间：2025-09-10 18:12:34

名称

• 英文名: (6Z)-6-[5-(Butylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one

物化性质

• 密度: 1.21g/cm3
• 沸点: 465.1ºC at 760 mmHg
• 分子式: C₁₈H₁₉N₃OS
• 分子量: 325.42800
• 闪点: 235.1ºC
• 精确质量: 325.12500
• PSA: 75.98000
• LogP: 3.21950
• 折射率: 1.638

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : SK2100000 CHEMICAL NAME : Phenol, 2-(5-(butylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- CAS REGISTRY NUMBER : 81518-37-8 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C18-H19-N3-O-S MOLECULAR WEIGHT : 325.46 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 20,1017,1981

合成路线

81518-26-5 ~62% 81518-37-8

文献：Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018

37536-32-6 ~% 81518-37-8

文献：Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018