1,4-Epithio-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole, 4,5-dihydro-1-phenyl-

1,4-Epithio-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole, 4,5-dihydro-1-phenyl- 基本信息
CAS号 76099-31-5 分子式 C17H14N2OS
分子量 294.37690 精确质量  294.08269
PSA  52.35000 LogP  3.38300

基本信息 展开↓

CAS号:
76099-31-5
3D弹球模型:
立即前往扯扯看
分子式:
C17H14N2OS
分子量:
294.37690
英文名称:
1,4-Epithio-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole, 4,5-dihydro-1-phenyl-
英文别名:
1,4-Epithio-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole, 4,5-dihydro-1-phenyl-
精确分子量/精确质量:
294.08269
极性分子表面积/PSA:
52.35000
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: AMYOXDWJQOVPDQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.43g/cm3
沸点:
551.5ºC at 760 mmHg
闪点:
287.3ºC
折射率:
1.763

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 76099-46-2

    2-(2-phenyl-1,3-dioxolan-2-yl)-1-(thiiran-2-ylmethyl)-1H-benzo[d]imidazole

  • ~22%

  • 76099-31-5

    4,5-dihydro-1-phenyl-1,4-epithio-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

  • 76099-45-1

    1-(oxiran-2-ylmethyl)-2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazole

  • 76099-31-5

    4,5-dihydro-1-phenyl-1,4-epithio-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

  • 89521-84-6

    2-(2-phenyl-1,3-dioxolan-2-yl)-1H-benzimidazole

  • 76099-31-5

    4,5-dihydro-1-phenyl-1,4-epithio-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KC1200000
CHEMICAL NAME :
1,4-Epithio-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phenyl-
CAS REGISTRY NUMBER :
76099-31-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-N2-O-S
MOLECULAR WEIGHT :
294.39

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 :
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: 15,199,1980

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 76099-45-1

    1-(oxiran-2-ylmethyl)-2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazole

  • 76099-46-2

    2-(2-phenyl-1,3-dioxolan-2-yl)-1-(thiiran-2-ylmethyl)-1H-benzo[d]imidazole

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