2-氰基乙酰基色酮

2-氰基乙酰基色酮 基本信息
CAS号 5149-69-9 分子式 C11H7NO2
分子量 185.17900 精确质量  185.04800
PSA  54.00000 LogP  2.52918

基本信息 展开↓

CAS号:
5149-69-9
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分子式:
C11H7NO2
分子量:
185.17900
中文名称:
2-氰基乙酰基色酮
英文名称:
3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
中文别名:
2-氰基乙酰基色酮;
3-(苯并呋喃-2-基)-3-氧代丙腈
英文别名:
3-(1-Benzofuran-2-yl)-3-oxopropanenitrile;
2-(benzofuran-2-carbonyl)acetonitrile;
2-Cyanoacetylcoumarone;
benzofuran-2-oylacetonitrile;
3-benzofuran-2-yl-3-oxopropanenitrile;
b-oxo-2-benzo[b]furanpropanenitrile;
3-Benzofuran-2-yl-3-oxo-propionitril;
3-benzofuran-2-yl-3-oxo-propionitrile;
BENZOFURAN,2-CYANOACETYL;
2-Benzo-furanacetonitrile;
USAF KF-4
精确分子量/精确质量:
185.04800
极性分子表面积/PSA:
54.00000
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: GCABLKFGYPIVFC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.253g/cm3
熔点:
149-151ºC
沸点:
365.1ºC at 760mmHg
闪点:
174.6ºC
折射率:
1.606
存储条件/存储方法:
通风低温干燥

安全信息展开↓

海关代码:
2932999099

合成路线查看所有的合成路线

  • 1646-27-1

    苯并呋喃-2-羧酸甲酯

  • +

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    乙腈

  • ~93%

  • 5149-69-9

    2-氰基乙酰基色酮

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    乙腈

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    2-氰基乙酰基色酮

  • 1646-26-0

    2-乙酰基苯并呋喃

  • 5149-69-9

    2-氰基乙酰基色酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF6550000
CHEMICAL NAME :
Benzofuran, 2-cyanoacetyl-
CAS REGISTRY NUMBER :
5149-69-9
BEILSTEIN REFERENCE NO. :
0146419
LAST UPDATED :
199707
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H7-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 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:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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