526-35-2

• 常用中文名：阿洛双酮
• 常用英文名：allomethadione
• CAS号：526-35-2
• 分子式：C₇H₉NO₃
• 分子量：155.15100
• 发布时间：2018-02-13 08:00:00
• 更新时间：2024-01-09 12:51:59

名称

• 中文名: 阿洛双酮
• 英文名: 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
• 英文别名: Allydione; Malidone; ALOXIDONE; Allomethadionum [INN-Latin]; Allometadione [DCIT]; Malazol; Alometadiona [INN-Spanish]; Allomethadione; EINECS 208-389-0; Allomethadion

物化性质

• 密度: 1.166g/cm3
• 沸点: 193ºC at 760 mmHg
• 分子式: C₇H₉NO₃
• 分子量: 155.15100
• 闪点: 70.5ºC
• 精确质量: 155.05800
• PSA: 46.61000
• LogP: 0.47760
• 折射率: 1.478
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:46.6

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:212

  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:1

  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 : RP7300000 CHEMICAL NAME : 2,4-Oxazolidinedione, 3-allyl-5-methyl- CAS REGISTRY NUMBER : 526-35-2 BEILSTEIN REFERENCE NO. : 0135052 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H9-N-O3 MOLECULAR WEIGHT : 155.17 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 : 1300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 6,740,1954

安全

• 海关编码: 2934999090

合成路线

220316-77-8 17351-61-0 ~92% 526-35-2

文献：Cesa, Stefania; Mucciante, Vittoria; Rossi, Leucio Tetrahedron, 1999 , vol. 55, # 1 p. 193 - 200

556-56-9 ~% 526-35-2

文献：Spielman; Everett Journal of the American Chemical Society, 1948 , vol. 70, p. 1021

105-58-8 ~% 526-35-2

文献：Shapiro et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 6498,6503

27770-23-6 106-95-6 ~78% 526-35-2

文献：Kano, Shinzo; Yuasa, Yoko; Shibuya, Shiroshi Heterocycles, 1987 , vol. 26, # 2 p. 373 - 376

220316-77-8 ~% 526-35-2

文献：Casadei, Maria Antonietta; Cesa, Stefania; Micheletti Moracci, Franco; Inesi, Achille; Feroci, Marta Journal of Organic Chemistry, 1996 , vol. 61, # 1 p. 380 - 383

106-95-6 ~% 526-35-2

文献：Brit. Schering Research Labor. Patent: DE834992 , 1949 ; DRP/DRBP Org.Chem. Full Text Show Details Brit. Schering Research Labor. Patent: US2559011 , 1946 ;

上下游产品

上游产品  5
17351-61-0 556-56-9 105-58-8 27770-23-6
106-95-6
下游产品  0

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%