115-43-5

• 常用中文名：苯烯比妥
• 常用英文名：5-allyl-5-phenylbarbituric acid
• CAS号：115-43-5
• 分子式：C₁₃H₁₂N₂O₃
• 分子量：244.24600
• 发布时间：2018-08-22 18:02:15
• 更新时间：2024-01-14 23:01:47

名称

• 中文名: 苯烯比妥
• 英文名: 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
• 英文别名: Allophenylum; Alphenal; Phenallymal; Alpheba; Alphasem; Phenallymalum; Prophenal; 5-Phenyl-5-allylbarbitursaeure; 5-Allyl-5-phenyl-barbitursaeure; 5-allyl-5-phenyl-pyrimidine-2,4,6-trione; Alphenate; Fenallymal; 5-Allyl-5-phenylbarbituric acid; 5-phenyl-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; Allofenyl

物化性质

• 密度: 1.222g/cm3
• 分子式: C₁₃H₁₂N₂O₃
• 分子量: 244.24600
• 精确质量: 244.08500
• PSA: 75.27000
• LogP: 1.52410
• 折射率: 1.549
• 储存条件: 库房通风低温干燥,与食品原料分开存放
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:5

  6.拓扑分子极性表面积:75.3

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:377

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CQ0460000 CHEMICAL NAME : Barbituric acid, 5-allyl-5-phenyl- CAS REGISTRY NUMBER : 115-43-5 BEILSTEIN REFERENCE NO. : 0227510 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C13-H12-N2-O3 MOLECULAR WEIGHT : 244.27 WISWESSER LINE NOTATION : T6VMVMV FHJ F2U1 FR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 233 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : SFTIAE Svensk Farmaceutisk Tidskrift. Swedish Journal of Pharmacy. (POB 1136, Stockholm 111 81, Sweden) V.1- 1897- Volume(issue)/page/year: 56,31,1952 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 280 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 265 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962

安全

• 海关编码: 2933540000

合成路线

22275-34-9 106-95-6 ~% 115-43-5

文献：Hoffmann-La Roche Patent: DE526854 , 1930 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 2304

66205-43-4 ~% 115-43-5

文献：Toth; Makleit Acta Chimica Academiae Scientiarum Hungaricae, 1981 , vol. 107, # 2 p. 147 - 153

22275-34-9 4873-09-0 ~% 115-43-5

文献：Chandanayingyong J. pharm. Assoc. SiamChem.Abstr., 1948 , vol. 1, # 5 p. 4,14 J. pharm. Assoc. SiamChem.Abstr., 1952 , p. 2502

上下游产品

上游产品  3
22275-34-9 106-95-6 4873-09-0
下游产品  1
25860-53-1

海关

海关编码	2933540000
中文概述	2933540000 其他丙二酰脲（巴比土酸）的衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%