4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide

4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide 基本信息
CAS号 64047-46-7 分子式 C11H8N4O2S2
分子量 292.33700 精确质量  292.00900
PSA  124.78000 LogP  3.16550

基本信息 展开↓

CAS号:
64047-46-7
3D弹球模型:
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分子式:
C11H8N4O2S2
分子量:
292.33700
英文名称:
4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
英文别名:
4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide;
4-isothiocyanato-benzenesulfonic acid pyrimidin-2-ylamide;
p-(2-Pyrimidylsulfamyl)phenyl isothiocyanate;
ISOTHIOCYANIC ACID,p-(2-PYRIMIDYLSULFAMYL)PHENYL ESTER;
4-isothiocyanato-N-(pyrimidin-2-yl)benzenesulfonamide;
4-Isothiocyanato-benzolsulfonsaeure-pyrimidin-2-ylamid
精确分子量/精确质量:
292.00900
极性分子表面积/PSA:
124.78000
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。
InChI:
The Key: HZRFQEQYOQGXDQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.45g/cm3
沸点:
528.4ºC at 760 mmHg
闪点:
273.4ºC
折射率:
1.699

安全信息展开↓

海关代码:
2935009090

合成路线查看所有的合成路线

  • 463-71-8

    硫光气

  • +

  • 68-35-9

    磺胺嘧啶

  • 64047-46-7

    4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide

  • 68-35-9

    磺胺嘧啶

  • 64047-46-7

    4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9450000
CHEMICAL NAME :
Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester
CAS REGISTRY NUMBER :
64047-46-7
BEILSTEIN REFERENCE NO. :
0268862
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H8-N4-O2-S2
MOLECULAR WEIGHT :
292.35
WISWESSER LINE NOTATION :
T6N CNJ BSWMR DNCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,229,1952

海关数据查看详细

中国海关编码:2935009090

概述:
2935009090 其他磺(酰)胺. 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:35.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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  • 68-35-9

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  • 463-71-8

    硫光气

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