4-苯甲酰-4-(2-氰基乙基)庚二腈

4-苯甲酰-4-(2-氰基乙基)庚二腈 基本信息
CAS号 5342-96-1 分子式 C17H17N3O
分子量 279.33600 精确质量  279.13700
PSA  88.44000 LogP  3.76704

基本信息 展开↓

CAS号:
5342-96-1
3D弹球模型:
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分子式:
C17H17N3O
分子量:
279.33600
中文名称:
4-苯甲酰-4-(2-氰基乙基)庚二腈
英文名称:
4-benzoyl-4-(2-cyanoethyl)heptanedinitrile
中文别名:
4-苯甲酰-4-(2-氰基乙基)庚二腈;
Hydrazine dihydrochloride;
双盐酸肼;
3-hydroxynaphthalene-2-carbohydrazide;
2-hydroxynaphthalene-1,4-dione;
3-Hydroxy-2-naphthoic acid hydrazide;
1-Bromo-2-(4-nitrophenyl)ethane;
4-nitrophenylethyl bromide;
4-Nitrophenethyl Bromide;
p-propionyltoluene;
propiophenone, 4'-methyl-;
ethyl-p-tolylketon;
labotest-bb lt00053050;
p-tolyl ethyl ketone;
p-methylpropiophenone;
4'-methylpropiophenone;
1-(4-methyylphenyl)-1-propanone;
4'-methyl propiophenone;
4-Methyl propiophenone;
4-Methylpropiophenone;
icosan-9-ol;
2'-Ethylhexyloxypropylamine;
3-[(2-Ethylhexyl)oxy]propylamine
英文别名:
4-benzoyl-4-(2-cyanoethyl)heptanedinitrile;
Propionitrile,phenacylidynetri;
Phenacylidynetripropionitrile;
2,2,2-tris(2-cyanoethyl)acetophenone;
Tris(cyanoethyl)acetophenone;
Heptanedinitrile,4-benzoyl-4-(2-cyanoethyl)-(6CI,9CI);
4-(2-Cyan-aethyl)-4-benzoyl-heptandisaeure-dinitril;
4-Benzoyl-4-(2-cyan-aethyl)-heptandinitril;
4-benzoyl-4(2-cyanoethyl)heptanedinitrile
精确分子量/精确质量:
279.13700
极性分子表面积/PSA:
88.44000
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:
InChI=1/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2

物化性质展开↓

密度:
1.118g/cm3
沸点:
571ºC at 760 mmHg
闪点:
299.1ºC
折射率:
1.534

安全信息展开↓

海关代码:
2926909090

合成路线查看所有的合成路线

  • 107-13-1

    丙烯腈

  • +

  • 98-86-2

    苯乙酮

  • ~46%

  • 100869-93-0

    4-benzoylheptanedinitrile

  • +

  • 5342-96-1

    4-苯甲酰-4-(2-氰基乙基)庚二腈

  • 107-13-1

    丙烯腈

  • +

  • 98-86-2

    苯乙酮

  • ~39%

  • 100869-93-0

    4-benzoylheptanedinitrile

  • +

  • 5342-96-1

    4-苯甲酰-4-(2-氰基乙基)庚二腈

  • 123-91-1

    1,4-二氧六环

  • +

  • 107-13-1

    丙烯腈

  • +

  • 98-86-2

    苯乙酮

  • 5342-96-1

    4-苯甲酰-4-(2-氰基乙基)庚二腈

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG4280000
CHEMICAL NAME :
Propionitrile, phenacylidynetri-
CAS REGISTRY NUMBER :
5342-96-1
BEILSTEIN REFERENCE NO. :
2144045
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N3-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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#03282

海关数据查看详细

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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