1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole

1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole 基本信息
CAS号 99793-38-1 分子式 C15H11Cl2N3S
分子量 336.23900 精确质量  335.00500
PSA  56.01000 LogP  4.96300

基本信息 展开↓

CAS号:
99793-38-1
分子式:
C15H11Cl2N3S
分子量:
336.23900
中文名称:
1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
英文名称:
1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
中文别名:
1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
英文别名:
1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole;
1,5-bis(4-chlorophenyl)-3-methylthio-1H-1,2,4-triazole;
CTK3I7439;
LS-155819;
AG-I-02516;
AC1MI4ZQ;
1,5-Bis(4-chlorophenyl)-3-(methylthio)-1H-1,2,4-triazole;
SureCN11017703;
1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-
精确分子量/精确质量:
335.00500
极性分子表面积/PSA:
56.01000
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。

物化性质展开↓

密度:
1.39g/cm3
沸点:
511.8ºC at 760 mmHg
闪点:
263.3ºC
折射率:
1.678

合成路线查看所有的合成路线

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4098000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-
CAS REGISTRY NUMBER :
99793-38-1
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H11-Cl2-N3-S
MOLECULAR WEIGHT :
336.25

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 :
770 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
155 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
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
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990

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