2-ethylpropanedinitrile

2-ethylpropanedinitrile 基本信息
CAS号 3696-37-5 分子式 C5H6N2
分子量 94.11450 精确质量  94.05310
PSA  47.58000 LogP  1.05976

基本信息 展开↓

CAS号:
3696-37-5
3D弹球模型:
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分子式:
C5H6N2
分子量:
94.11450
英文名称:
2-ethylpropanedinitrile
英文别名:
2-ethylpropanedinitrile;
Aethyl-malonitril;
2-ethylmalononitrile;
ethylmalonitrile;
Ethylmalononitrile;
Ethylmalononitril;
Aethyl-malonitril [German];
Ethylpropanedinitrile;
MALONONITRILE,ETHYL;
Propanedinitrile,ethyl;
Ethylmalonsaeuredinitril
精确分子量/精确质量:
94.05310
极性分子表面积/PSA:
47.58000
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: PLKGLZXMDLCSLY-UHFFFAOYSA-N

物化性质展开↓

密度:
0.958g/cm3
沸点:
202.1ºC at 760 mmHg
闪点:
85.9ºC
折射率:
1.422

安全信息展开↓

海关代码:
2926909090

合成路线查看所有的合成路线

  • 75-03-6

    碘乙烷

  • +

  • 109-77-3

    丙二腈

  • ~90%

  • 3696-37-5

    2-ethylpropanedinitrile

  • 75-07-0

    乙醛

  • +

  • 109-77-3

    丙二腈

  • ~85%

  • 3696-37-5

    2-ethylpropanedinitrile

  • 6082-49-1

    2-ethylpropanediamide

  • ~82%

  • 3696-37-5

    2-ethylpropanedinitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4030000
CHEMICAL NAME :
Malononitrile, ethyl-
CAS REGISTRY NUMBER :
3696-37-5
BEILSTEIN REFERENCE NO. :
1741523
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H6-N2
MOLECULAR WEIGHT :
94.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

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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