喹多克辛

喹多克辛 基本信息
CAS号 2423-66-7 分子式 C8H6N2O2
分子量 162.14500 精确质量  162.04300
PSA  50.92000 LogP  1.69680

基本信息 展开↓

CAS号:
2423-66-7
3D弹球模型:
立即前往扯扯看
分子式:
C8H6N2O2
分子量:
162.14500
中文名称:
喹多克辛
英文名称:
4-oxidoquinoxalin-1-ium 1-oxide
中文别名:
喹多克辛
英文别名:
4-oxidoquinoxalin-1-ium 1-oxide;
Grofas;
quinoxaline N,N'-dioxide;
Quindoxin;
Quinoxaline dioxide;
Celbar;
BAY-Va 9391;
benzopyrazine N,N'-dioxide;
quinoxaline 1,4-bis-N-oxide;
Quinoxaline di-N-oxide;
USAF H-1;
Chindoxin [Czech];
quinoxaline 1,4-di-N-oxide;
Quinoxaline,1,4-dioxide;
Bayo N-Ox
精确分子量/精确质量:
162.04300
极性分子表面积/PSA:
50.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
219-352-3
InChI:
The Key: CKIHZSGJPSDCNC-UHFFFAOYSA-N

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 91-19-0

    喹喔啉

  • ~95%

  • 2423-66-7

    喹多克辛

  • 108-05-4

    醋酸乙烯酯

  • +

  • 480-96-6

    苯并呋咱

  • ~79%

  • 2423-66-7

    喹多克辛

  • 17987-99-4

    1-oxido-4-oxoquinoxalin-4-ium-2-carboxylic acid

  • ~47%

  • 2423-66-7

    喹多克辛

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VD2275000
CHEMICAL NAME :
Quinoxaline, 1,4-dioxide
CAS REGISTRY NUMBER :
2423-66-7
LAST UPDATED :
199512
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C8-H6-N2-O2
MOLECULAR WEIGHT :
162.16
WISWESSER LINE NOTATION :
T66 BN ENJ BO EO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2970 mg/kg/12D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
1500 mg/kg/3D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5400 mg/kg/77W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
20 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 139,199,1984

海关数据查看详细

中国海关编码:2933990090

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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):-0.1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:46.4

7.重原子数量:12

8.表面电荷:0

9.复杂度:206

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

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