130-83-6

• 常用中文名：6-ALLYL-6,7-DIHYDRO-5H-DIBENZ(c,e)-AZEPINE PHOSPHATE
• 常用英文名：6-ALLYL-6,7-DIHYDRO-5H-DIBENZ(c,e)-AZEPINE PHOSPHATE
• CAS号：130-83-6
• 分子式：C₁₇H₂₀NO₄P
• 分子量：333.31900
• 发布时间：2017-01-09 23:10:34
• 更新时间：2024-01-10 09:07:09

名称

• 英文名: phosphoric acid,6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
• 英文别名: Azeptane phosphate; 6-Allyl-6,7-dihydro-5H-dibenz[c,e]azepin,Dihydrogenphosphat; Azephine; Ilidar phosphate; Ro 2-3248; EINECS 204-997-5; 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate; 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine,dihydrogenphosphate; Azepine phosphate; Ilidar; azephine phosphate; Azapetine phosphate

物化性质

• 沸点: 364.5ºC at 760mmHg
• 分子式: C₁₇H₂₀NO₄P
• 分子量: 333.31900
• 闪点: 157.1ºC
• 精确质量: 333.11300
• PSA: 90.81000
• LogP: 2.86450
• 蒸汽压: 1.67E-05mmHg at 25°C
• 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:3

  3.氢键受体数量:5

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积81

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:311

  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:2

毒性和生态

毒理学数据: 口服-小鼠LD50: 460毫克/公斤; 腹腔-小鼠 LD50： 210 毫克/公斤。 CHEMICAL IDENTIFICATION RTECS NUMBER : HN7525000 CAS REGISTRY NUMBER : 130-83-6 LAST UPDATED : 199009 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C17-H17-N.H3-O4-P MOLECULAR WEIGHT : 333.35 WISWESSER LINE NOTATION : T B676 IN&T&J I2U1 &P-O4 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 : 460 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 210 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 725 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 26 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - urine volume increased REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 106,14,1952 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 27 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 103,10,1951

安全

• 海关编码: 2933990090

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%