2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone

2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone 基本信息
CAS号 78807-66-6 分子式 C29H22N4O3S
分子量 506.57500 精确质量  506.14100
PSA  107.03000 LogP  6.53710

基本信息 展开↓

CAS号:
78807-66-6
3D弹球模型:
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分子式:
C29H22N4O3S
分子量:
506.57500
中文名称:
2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
英文名称:
2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
中文别名:
2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
英文别名:
2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone;
Ethanone,2-[4,5-dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl]-1-(10H-phenothiazin-10-yl)-
精确分子量/精确质量:
506.14100
极性分子表面积/PSA:
107.03000
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: SSTLRLNSOYJEQX-UHFFFAOYSA-N

物化性质展开↓

密度:
1.36g/cm3
沸点:
740.5ºC at 760 mmHg
闪点:
401.6ºC
折射率:
1.717

合成路线查看所有的合成路线

  • 54012-74-7

    2-hydrazinyl-1-phenothiazin-10-ylethanone

  • +

  • 53744-32-4

    2'-Nitrochalcone

  • ~79%

  • 78807-66-6

    2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone

  • 100-52-7

    苯甲醛

  • 78807-66-6

    2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone

  • 577-59-3

    邻硝基苯乙酮

  • 78807-66-6

    2-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SO5008332
CHEMICAL NAME :
10H-Phenothiazine, 10-((4,5-dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazo l-1-yl)acetyl)-
CAS REGISTRY NUMBER :
78807-66-6
LAST UPDATED :
199606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C29-H22-N4-O3-S
MOLECULAR WEIGHT :
506.61

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 :
>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: 20,252,1981

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  • 54012-74-7

    2-hydrazinyl-1-phenothiazin-10-ylethanone

  • 53744-32-4

    2'-Nitrochalcone

  • 92-84-2

    吩噻嗪

  • 786-50-5

    2-chloro-1-phenothiazin-10-ylethanone

  • 577-59-3

    邻硝基苯乙酮

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