4-甲砜基苯脒盐酸盐

4-甲砜基苯脒盐酸盐 基本信息
CAS号 5434-06-0 分子式 C8H11ClN2O2S
分子量 234.70300 精确质量  234.02300
PSA  92.39000 LogP  3.05700

基本信息 展开↓

CAS号:
5434-06-0
3D弹球模型:
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分子式:
C8H11ClN2O2S
分子量:
234.70300
中文名称:
4-甲砜基苯脒盐酸盐
英文名称:
4-Methanesulfonylbenzamidine hydrochloride
中文别名:
4-甲砜基苯脒盐酸盐;
4-甲烷磺酰基苯胺盐酸盐
英文别名:
4-Methanesulfonylbenzamidine hydrochloride;
4-methylsulfonylbenzenecarboximidamide,hydrochloride
精确分子量/精确质量:
234.02300
极性分子表面积/PSA:
92.39000
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:
InChI=1/C8H10N2O2S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H

物化性质展开↓

沸点:
386.3ºC at 760mmHg
闪点:
187.5ºC

合成路线查看所有的合成路线

  • 22821-76-7

    4-(甲基磺酰基)苄胺盐酸盐

  • 5434-06-0

    4-甲砜基苯脒盐酸盐

  • 619-72-7

    对硝基苯甲腈

  • 5434-06-0

    4-甲砜基苯脒盐酸盐

  • 21382-98-9

    对甲硫基苯甲腈

  • 5434-06-0

    4-甲砜基苯脒盐酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV6292000
CHEMICAL NAME :
Benzamidine, p-(methylsulfonyl)-, hydrochloride
CAS REGISTRY NUMBER :
5434-06-0
LAST UPDATED :
198806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H10-N2-O2-S.Cl-H
MOLECULAR WEIGHT :
234.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,160,1945
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 2,523,1944
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,160,1945

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  • 21382-98-9

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  • 22821-76-7

    4-(甲基磺酰基)苄胺盐酸盐

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