4,5,6,7-Tetrahydro-1H-Isoindole-1,3(2H)-Dione 3,4,5,6-四氢邻苯二甲酰亚胺

CAS 4720-86-9 MFCD01735122

化学结构图

4720-86-9
SMILES: O=C1NC(=O)C2=C1CCCC2

化学属性

Mol. FormulaC8H9NO2
Mol. Weight151.16
Appearance 浅黄色至白色结晶性粉末
Boiling Point324.3°C at 760 mmHg
Melting Point170-175 °C

别名和识别编码

Chemical Name4,5,6,7-Tetrahydro-1H-Isoindole-1,3(2H)-Dione
EC Number225-211-7
Synonym 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number4720-86-9
Chemical Name Translation3,4,5,6-四氢邻苯二甲酰亚胺
MDL NumberMFCD01735122
Wiswesser Line NotationT56 BVMV&TJ
Beilstein Registry Number0136336
LabNetwork Molecule IDLN01330887
PubChem Substance ID34024
InChIInChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)
Canonical SMILESO=C1C2=C(CCCC2)C(N1)=O
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安全信息

RTECSGW4650000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3120 ug/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   MOPMA3 Molecular Pharmacology.  (Williams & Wilkins Co., 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1965-  Volume(issue)/page/year: 13,133,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 6250 ug/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   MOPMA3 Molecular Pharmacology.  (Williams & Wilkins Co., 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1965-  Volume(issue)/page/year: 13,133,1977

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:4720-86-9.mol
  • 用途一:主要用于染料、医药、农药等的中间体
  • 上游原料:氨 --> 碳酸氢铵 --> 3,4,5,6-四氢苯酐
  • 下游产品:N-羟甲基-3,4,5,6-四氢邻苯二甲酰亚胺
  • 方法一:其制备方法是在反应器内加入3，4，5，6-四氢苯二甲酸酐和尿素，进行搅拌加热至150℃左右，缓慢逐步升温加热，反应激烈，有大量的白色升华物生成，反应结束后，冷却加入无水乙醇，加热溶解，进行重结晶，得到淡黄色针状结晶，即3，4，5，6-四氢邻苯二甲酰亚胺。 3，4，5，6-四氢邻苯二甲酸酐进行氨化也可用液氨、碳酸氢铵等为胺化剂。
  • 用途二:3，4，5，6-四氢邻苯二甲酰亚胺简称亚胺，是拟除虫菊酯胺菊酯的中间体。

系列性分类

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