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1169-60-4

1169-60-4结构式
1169-60-4结构式

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英文名 methyl 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
英文别名 Aristolochiasaeure I-methylester
8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxol-5-carbonsaeure-methylester
Aristolochic acid I methyl ester
Aristolochic acid,methyl ester
aristolochic acid Ia methyl ester methyl ether
8-methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid methyl ester
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid,8-methoxy-6-nitro-,methyl ester
Aristolochic acid A methyl ester
Methoxy-aristolochinsaeure-methylester
8-Methoxy-3,4-methylendioxy-10-nitro-phenanthren-1-carbonsaeure-methylester
Methyl aristolochate
密度 1.464g/cm3
沸点 567.7ºC at 760mmHg
分子式 C18H13NO7
分子量 355.29800
闪点 250.8ºC
精确质量 355.06900
PSA 99.81000
LogP 3.94830
蒸汽压 6.65E-13mmHg at 25°C
折射率 1.693
计算化学

1.疏水参数计算参考值(XlogP):3.9

2.氢键供体数量:0

3.氢键受体数量:7

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积99.8

7.重原子数量:26

8.表面电荷:0

9.复杂度:564

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

更多

1.密度(g/cm3):1.464

2.沸点(760 mmHg,ºC):567.7

3.闪点(ºC):250.8

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SF8280000
CHEMICAL NAME :
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, methyl ester
CAS REGISTRY NUMBER :
1169-60-4
BEILSTEIN REFERENCE NO. :
0347502
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H13-N-O7
MOLECULAR WEIGHT :
355.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
10 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 206,447,1988

危险品运输编码 UN 2811
包装等级 III
危险类别 6.1(b)
海关编码 2932999099

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1169-60-4结构式

1169-60-4

文献:Phytochemistry (Elsevier), , vol. 22, # 12 p. 2745 - 2748

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1169-60-4结构式

1169-60-4

文献:Monatshefte fuer Chemie, , vol. 87, p. 249,264 Pharmaceutica Acta Helvetiae, , vol. 18, p. 243,253
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海关编码 2932999099
中文概述 2932999099. 其他仅含氧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
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%