1-(4-乙氧基苯基)-3,3-二甲基三氮烯
- 中文名称：
- 1-(4-乙氧基苯基)-3,3-二甲基三氮烯
- 中文别名：
- 1-(4-乙氧基苯基)-3,3-二甲基三氮烯
- 英文名称：
- Benzoic acid,4-(3,3-dimethyl-1-triazen-1-yl)-, ethyl ester
- 英文别名：
- ethyl 4-(dimethylaminodiazenyl)benzoate;
AT 2052
- CAS No.：
- 21600-51-1
- 分 子 式：
-
C11H15N3O2
- 分 子 量：
- 221.29
- 精确分子量：
- 221.11600
- PSA：
- 54.26000
- InChI：
- The Key: PDOLRHLZGYQIGP-UHFFFAOYSA-N3
- 安全术语：
- Poison by intravenous route. Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
- 分子结构式：
-
- SDS：
- 查看
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 物化性质
- 密度：
- 1.09g/cm3
- 沸点：
- 313ºC at 760mmHg
- 闪点：
- 143.1ºC
- 折射率：
- 1.528
- 蒸汽压：
- 0.00051mmHg at 25°C
- 存储条件/存储方法：
- 库房低温通风干燥
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 安全信息
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 毒理性
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
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 海关数据
中国海关编码：2916399090
- 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
- 摘要/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%
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 分子结构与计算化学数据
计算化学数据
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
1-(4-乙氧基苯基)-3,3-二甲基三氮烯 下游产品
