diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 基本信息
CAS号 23118-56-1 分子式 C17H21NO5
分子量 319.35200 精确质量  319.14200
PSA  77.77000 LogP  2.96940

基本信息 展开↓

CAS号:
23118-56-1
3D弹球模型:
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分子式:
C17H21NO5
分子量:
319.35200
中文名称:
diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
英文名称:
diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
中文别名:
diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
英文别名:
diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;
4-fluorophenyl methyl sulfide;
4-fluoro-1-methylthiobenzene;
4-F-phenyl methyl sulfide;
1-fluoro-4-methylsulfanyl-benzene;
4-Fluorothioanisole;
4-furan-2-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylicacid diethyl ester;
p-fluorophenyl methyl sulfide
精确分子量/精确质量:
319.14200
极性分子表面积/PSA:
77.77000
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: QEHKCWCTQOSUOP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.156g/cm3
沸点:
429.9ºC at 760mmHg
闪点:
213.8ºC
折射率:
1.512
蒸汽压:
1.35E-07mmHg at 25°C

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 98-01-1

    糠醛

  • +

  • 141-97-9

    乙酰乙酸乙酯

  • ~98%

  • 23118-56-1

    diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

  • 98-01-1

    糠醛

  • +

  • 141-97-9

    乙酰乙酸乙酯

  • +

  • 57-13-6

    尿素

  • ~87%

  • 23118-56-1

    diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

  • 98-01-1

    糠醛

  • +

  • 141-97-9

    乙酰乙酸乙酯

  • +

  • 57-13-6

    尿素

  • ~61%

  • 123629-40-3

    5-Pyrimidinecarboxylic acid,4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

  • +

  • 23118-56-1

    diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7978000
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
CAS REGISTRY NUMBER :
23118-56-1
BEILSTEIN REFERENCE NO. :
0288948
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H21-N-O5
MOLECULAR WEIGHT :
319.39
WISWESSER LINE NOTATION :
T6M DHJ B1 CVO2 EVO2 F1 D- BT5OJ

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 :
>7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 13,611,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01322

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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