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About This Item

经验公式(希尔记法):
C8H3Cl2NO2
CAS Number:
分子量:
216.02
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案

97%

mp

217-219 °C (lit.)

官能团

chloro

SMILES字符串

Clc1cc2C(=O)NC(=O)c2cc1Cl

InChI

1S/C8H3Cl2NO2/c9-5-1-3-4(2-6(5)10)8(13)11-7(3)12/h1-2H,(H,11,12,13)

InChI key

QJPBDGMPYPSJSF-UHFFFAOYSA-N

一般描述

4,5-Dichlorophthalimide (5,6-dichloro-1H-isoindole-1,3(2H)-dione) is a phthalimide derivative. It has been synthesized from 5,6-dichloro-1,3-isobenzofurandione and characterized by 1H ,13C-NMR and IR. The dipole moment, polarizability and first-order hyperpolarizability of 4,5-dichlorophthalimide have been investigated using ab initio and density functional theory calculations.

应用

4,5-Dichlorophthalimide (5,6-dichloro-1H-isoindole-1,3(2H)-dione) is suitable as a reactant in the synthesis of 5′-N-(4′′,5′′-dichlorophthaloyl)-3′-azido-2′,3′-dideoxythymidine and 2-amino-4,5-dichlorobenzoic acid.
It may be used in the following studies:
  • As a reactant in the synthesis of 4,5-dichloro-1,2-benzenedicarboxamide.
  • As an additive in the Ir-BICP catalyzed asymmetric hydrogenation of 2,3,3-trimethylindolenine to improve enantioselectivity.
  • As a reactant in the synthesis of octachloro-Cu-phthalocyanine.
  • As a reagent in the synthesis of 7-tert-butylthianthrene-2,3-dicarboxylic imide.
  • As a starting material in the synthesis of N-(3-bromopropyl)-4,5-dichlorophthalimide.
  • As a nucleophilic partner in the phosphine-catalyzed allylic substitution of Morita-Baylis-Hillman acetates to form N-protected β-amino phosphonic acid esters.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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