5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole 基本信息
CAS号 75318-76-2 分子式 C16H14ClN3O
分子量 299.75500 精确质量 　299.08300
PSA 　50.80000 LogP 　4.10910
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
75318-76-2
3D弹球模型：
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分子式：
C16H14ClN3O
分子量：
299.75500
英文名称：
5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
英文别名：
5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole;
5-(4-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
精确分子量/精确质量：
299.08300
极性分子表面积/PSA：
50.80000
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: JQVCKQSNWIUGRF-UHFFFAOYSA-N

物化性质展开↓

密度：
1.264g/cm3
沸点：
513.8ºC at 760 mmHg
闪点：
264.5ºC
折射率：
1.612

合成路线查看所有的合成路线

  • 75319-02-7

    8-甲氧基-3,4-二氢吡喃联氮基(1,2-a)吲哚-1-胺盐酸盐

  • →

  • 75318-76-2

    5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

  • 21900-44-7

    4-chloro-2-methylbenzoyl chloride

  • →

  • 75318-76-2

    5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

  • 7499-07-2

    4-氯-2-甲基苯甲酸

  • →

  • 75318-76-2

    5-(4-Chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4504000
CHEMICAL NAME :
s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
CAS REGISTRY NUMBER :
75318-76-2
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H14-Cl-N3-O
MOLECULAR WEIGHT :
299.78
WISWESSER LINE NOTATION :
T5MN DNJ CR DG B1& ER CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2500 ug/kg
SEX/DURATION :
female 6-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
25 mg/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
200 ug/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
200 ug/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
RDMIDP Quarterly Reviews on Drug Metabolism and Drug Interactions. (Freund Pub. House, Suite 500, Chesham House, 150 Regent St., London W1R 5FA, UK) V.3- 1980- Volume(issue)/page/year: 4,237,1982

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