4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole 基本信息
CAS号 141079-14-3 分子式 C21H14ClF2N3O
分子量 397.80500 精确质量  397.07900
PSA  39.94000 LogP  5.44490

基本信息 展开↓

CAS号:
141079-14-3
3D弹球模型:
立即前往扯扯看
分子式:
C21H14ClF2N3O
分子量:
397.80500
英文名称:
4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole
英文别名:
4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole;
4H-1,2,4-Triazole,4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl);
4-(3-Chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
精确分子量/精确质量:
397.07900
极性分子表面积/PSA:
39.94000
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: WCSGQJGQMHZRPC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.33g/cm3
沸点:
568ºC at 760 mmHg
闪点:
297.3ºC
折射率:
1.621
蒸汽压:
6.41E-13mmHg at 25°C

合成路线查看所有的合成路线

  • 141079-23-4

    N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide

  • 141079-14-3

    4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

  • 96980-64-2

    2,3-二氯-4-氟代-N-乙酰苯胺

  • 141079-14-3

    4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

  • 367-21-5

    3-氯-4-氟苯胺

  • 141079-14-3

    4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-1,2,4-triazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4391000
CHEMICAL NAME :
4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phe noxymethyl)-
CAS REGISTRY NUMBER :
141079-14-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H14-Cl-F2-N3-O
MOLECULAR WEIGHT :
397.83

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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 :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 31,289,1992

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  • 367-21-5

    3-氯-4-氟苯胺

  • 96980-64-2

    2,3-二氯-4-氟代-N-乙酰苯胺

  • 141079-23-4

    N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide

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