2-(pyrrolidin-1-ylmethylidene)propanedinitrile

2-(pyrrolidin-1-ylmethylidene)propanedinitrile 基本信息
CAS号 73541-93-2 分子式 C8H9N3
分子量 147.18082 精确质量  147.07965
PSA  50.82000 LogP  0.95116

基本信息 展开↓

CAS号:
73541-93-2
3D弹球模型:
立即前往扯扯看
分子式:
C8H9N3
分子量:
147.18082
中文名称:
2-(pyrrolidin-1-ylmethylidene)propanedinitrile
英文名称:
Propanedinitrile, 2-(1-pyrrolidinylmethylene)-
中文别名:
2-(pyrrolidin-1-ylmethylidene)propanedinitrile
英文别名:
Propanedinitrile, 2-(1-pyrrolidinylmethylene)-;
Malononitrile, (1-pyrrolidinylmethylene)- (7CI);
Propanedinitrile, (1-pyrrolidinylmethylene)- (9CI);
2-(1-Pyrrolidinylmethylene)propanedinitrile;
NSC 172262
精确分子量/精确质量:
147.07965
极性分子表面积/PSA:
50.82000
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: PEKZRDSDXUPZQB-UHFFFAOYSA-N

物化性质展开↓

密度:
1.239g/cm3
沸点:
251.6ºC at 760 mmHg
闪点:
103.5ºC
折射率:
1.626

合成路线查看所有的合成路线

  • 123-75-1

    四氢吡咯

  • +

  • 10472-09-0

    2-(chloromethylidene)propanedinitrile

  • ~88%

  • 73541-93-2

    2-(pyrrolidin-1-ylmethylidene)propanedinitrile

  • 123-75-1

    四氢吡咯

  • +

  • 123-06-8

    乙氧基亚甲基丙二腈

  • ~81%

  • 73541-93-2

    2-(pyrrolidin-1-ylmethylidene)propanedinitrile

  • 123-75-1

    四氢吡咯

  • +

  • 290-87-9

    1,3,5-三嗪

  • +

  • 109-77-3

    丙二腈

  • ~73%

  • 73541-93-2

    2-(pyrrolidin-1-ylmethylidene)propanedinitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4435000
CHEMICAL NAME :
Malononitrile, (1-pyrrolidinylmethylene)-
CAS REGISTRY NUMBER :
73541-93-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H9-N3
MOLECULAR WEIGHT :
147.20
WISWESSER LINE NOTATION :
T5NTJ A1UYCN&CN

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 :
1000 ug/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#09213

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  • 123-75-1

    四氢吡咯

  • 10472-09-0

    2-(chloromethylidene)propanedinitrile

  • 123-06-8

    乙氧基亚甲基丙二腈

  • 290-87-9

    1,3,5-三嗪

  • 109-77-3

    丙二腈

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