(4Z)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione

(4Z)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione 基本信息
CAS号 50413-16-6 分子式 C15H16N2O3
分子量 272.29900 精确质量  272.11600
PSA  62.13000 LogP  1.90080

基本信息 展开↓

CAS号:
50413-16-6
3D弹球模型:
立即前往扯扯看
分子式:
C15H16N2O3
分子量:
272.29900
英文名称:
(4Z)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione
英文别名:
(4Z)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione;
4-(5,5-dimethyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-dihydro-furan-2,3-dione;
4-(4,5-Dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-hydroxyfuran-2(5H)-one
精确分子量/精确质量:
272.11600
极性分子表面积/PSA:
62.13000
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: CQXWGOZWPQEQBX-UHFFFAOYSA-N

物化性质展开↓

密度:
1.271g/cm3
沸点:
372.4ºC at 760 mmHg
闪点:
179ºC
折射率:
1.592

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 774-26-5

    4-(3-methyl-but-2-enoyl)-dihydro-furan-2,3-dione

  • +

  • 100-63-0

    苯肼

  • 50413-16-6

    (4Z)-4-(5,5-dimethyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU3569160
CHEMICAL NAME :
2(5H)-Furanone, 4-(4,5-dihydro-5,5-dimethyl-1-phenyl-1H-pyrazol-3-yl) -3-hydroxy-
CAS REGISTRY NUMBER :
50413-16-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H16-N2-O3
MOLECULAR WEIGHT :
272.33
WISWESSER LINE NOTATION :
T5NN EUTJ BR& C1 C1 E- DT5OV EHJ CQ

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 :
1350 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - analgesia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 26,2050,1976

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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  • 774-26-5

    4-(3-methyl-but-2-enoyl)-dihydro-furan-2,3-dione

  • 100-63-0

    苯肼

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