21600-51-1

• 常用中文名：Benzoic acid,4-(3,3-dimethyl-1-triazen-1-yl)-, ethyl ester
• 常用英文名：Benzoic acid,4-(3,3-dimethyl-1-triazen-1-yl)-, ethyl ester
• CAS号：21600-51-1
• 分子式：C₁₁H₁₅N₃O₂
• 分子量：221.25600
• 发布时间：2016-02-18 23:57:04
• 更新时间：2024-01-18 20:05:56

名称

• 英文名: ethyl 4-(dimethylaminodiazenyl)benzoate
• 英文别名: at 2052

物化性质

• 密度: 1.09g/cm3
• 沸点: 313ºC at 760mmHg
• 分子式: C₁₁H₁₅N₃O₂
• 分子量: 221.25600
• 闪点: 143.1ºC
• 精确质量: 221.11600
• PSA: 54.26000
• LogP: 2.42360
• 蒸汽压: 0.00051mmHg at 25°C
• 折射率: 1.528
• 储存条件: 库房低温通风干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积54.3

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:246

  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 : DG9125000 CHEMICAL NAME : Benzoic acid, p-(3-dimethyltriazeno)-, ethyl ester CAS REGISTRY NUMBER : 21600-51-1 LAST UPDATED : 199612 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C11-H15-N3-O2 MOLECULAR WEIGHT : 221.29 WISWESSER LINE NOTATION : 2OVR DNUNN1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 450 mg/kg TOXIC EFFECTS : Blood - leukopenia Blood - thrombocytopenia TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 760 mg/kg/19W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 805 mg/kg/23W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Blood - lymphoma, including Hodgkin's disease TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 760 mg/kg/19W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : Sex chromosome loss and nondisjunction MUTATION DATA TYPE OF TEST : Host-mediated assay TEST SYSTEM : Rodent - mouse Yeast - Saccharomyces cerevisiae DOSE/DURATION : 8852 mg/kg REFERENCE : CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 9,365,1974

安全

• 海关编码: 2916399090

上下游产品

上游产品  0
下游产品  2
19262-74-9 124-40-3

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%