4-DIMETHYLAMINOAZOBENZENE-4-ARSONIC ACID
- 中文别名：4-二甲氨基偶氮苯-4′-胂酸
- 中文释义：4-二甲氨基偶氮苯-4’-胂酸;4-[(2-羟基-5-甲基苯基)偶氮]苯磺酸钠盐;2-羟基-5-甲基偶氮苯-4ˊ-磺酸钠;4-二甲氨基偶氮苯-4′-胂酸;锆铪试剂
- 英文别名：Arsonic acid, As-[4-[2-[4-(dimethylamino)phenyl]diazenyl]phenyl]-;
Arsonic acid, [4-[[4-(dimethylamino)phenyl]azo]phenyl]- (9CI);
Benzenearsonic acid, p-[[p-(dimethylamino)phenyl]azo]- (6CI,7CI,8CI);
As-[4-[2-[4-(Dimethylamino)phenyl]diazenyl]phenyl]arsonic acid;
4-(Dimethylamino)azobenzene-4'-arsonic acid;
4-[4-(N,N-Dimethylaminophenylazo)]benzenearsonic acid;
NSC 4189;
[4-(4'-Dimethylaminophenylazo)phenyl]arsonic acid;
p-(Dimethylaminophenyl)azophenylarsonic acid
- CAS No.：622-68-4
- 分子式：C14H16AsN3O3
- 分子量：349.22
- 精确分子量：349.04076
- PSA：85.5 A2
- InChI：The Key: VESQGSDAHXGDIU-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 沸点：
- 606.0±65.0 °C
- 闪点：
- 320.3±34.3 °C
- 水溶解性：
- Sparingly Soluble (0.016 g/L)
- 蒸汽密度：
- 1.54E-15 Torr
安全信息
- 沸点：
- 606.0±65.0 °C
- 闪点：
- 320.3±34.3 °C
- 水溶解性：
- Sparingly Soluble (0.016 g/L)
- 蒸汽密度：
- 1.54E-15 Torr
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CY4770000
- CHEMICAL NAME :
- Benzenearsonic acid, p-((p-(dimethylamino)phenyl)azo)-
- CAS REGISTRY NUMBER :
- 622-68-4
- BEILSTEIN REFERENCE NO. :
- 0674398
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C14-H16-As-N3-O3
- MOLECULAR WEIGHT :
- 349.25
- WISWESSER LINE NOTATION :
- Q-AS-QO&R DNUNR DN1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,12,1953
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JCSOA9 Journal of the Chemical Society. (London, UK) 1926-65. For publisher information, see JCPRB4. Volume(issue)/page/year: -,576,1940
海关数据
中国海关编码：2931900090
- 概述：
- 2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
- 摘要/Summary：
- 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
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:2
3.氢键受体数量:6
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:85.5
7.重原子数量:21
8.表面电荷:0
9.复杂度:394
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
