N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide 基本信息
CAS号 107045-05-6 分子式 C21H19ClN4O3
分子量 410.85400 精确质量  410.11500
PSA  99.13000 LogP  3.70010

基本信息 展开↓

CAS号:
107045-05-6
3D弹球模型:
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分子式:
C21H19ClN4O3
分子量:
410.85400
英文名称:
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
英文别名:
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide;
Acetic acid,(4-((1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl)phenoxy)-,(1-(4-chlorophenyl)ethylidene)hydrazide
精确分子量/精确质量:
410.11500
极性分子表面积/PSA:
99.13000
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: QBGYLVXSUJAYMR-UHFFFAOYSA-N

物化性质

密度:
1.315g/cm3
折射率:
1.631

合成路线查看所有的合成路线

  • 99-91-2

    对氯苯乙酮

  • +

  • 107045-08-9

    4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)-phenoxyacetic acid hydrazide

  • ~77%

  • 107045-05-6

    N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide

  • 107045-07-8

    Ethyl 4-(3-methyl-5-oxo-pyrazolidenemethyl)-phenoxyacetate

  • 107045-05-6

    N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AH0510000
CHEMICAL NAME :
Acetic acid, (4-((1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene) methyl)phenoxy)-, (1-(4-chlorophenyl)ethylidene)hydrazide
CAS REGISTRY NUMBER :
107045-05-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H19-Cl-N4-O3
MOLECULAR WEIGHT :
410.89

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: 25,339,1986

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