3-Chloroisoquinoline
3-Chloroisoquinoline
CAS: 19493-45-9
Molecular Formula: C9H6ClN
3-Chloroisoquinoline - Names and Identifiers
| Name | 3-Chloroisoquinoline |
| Synonyms | 3-chloroisoquinline 3-Chloroisoquinoline 3-chloroisoquinoline Isoquinoline, 3-chloro- 3-Chloro-2-azanaphthalene |
| CAS | 19493-45-9 |
| InChI | InChI=1/C9H6ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H |
3-Chloroisoquinoline - Physico-chemical Properties
| Molecular Formula | C9H6ClN |
| Molar Mass | 163.6 |
| Density | 1.270±0.06 g/cm3(Predicted) |
| Melting Point | 45-46 °C |
| Boling Point | 291.8±13.0 °C(Predicted) |
| Flash Point | 158.009°C |
| Vapor Presure | 0.003mmHg at 25°C |
| pKa | 1.84±0.30(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.652 |
3-Chloroisoquinoline - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Note | Irritant |
3-Chloroisoquinoline - Introduction
3-Chloroisoquinoline(3-Chloroisoquinoline) is an organic compound with the chemical formula C9H6ClN. The following is a brief description of the nature, use, preparation and safety information of 3-Chloroisoquinoline:
Nature:
-Appearance: 3-Chloroisoquinoline is a white to light yellow crystal or crystalline powder.
-Solubility: 3-Chloroisoquinoline is soluble in Ketone solvents, ether and dichloromethane, and slightly soluble in alcohol solvents.
-Melting point: about 48-50 ℃.
-Spectroscopic data: The nuclear magnetic resonance hydrogen spectrum (NMR) and infrared spectrum (IR) of 3-Chloroisoquinoline can provide characteristic information for its structure.
Use:
-as an intermediate: 3-Chloroisoquinoline can be used for the synthesis of a variety of pharmaceutical and pesticide intermediates, such as for the synthesis of anti-epileptic drugs, antidepressants, anticancer drugs and pesticides.
Method:
-o-dinitro aromatic compound method: 3-Chloroisoquinoline is prepared by nitration and chlorination of O-diamino aromatic compounds.
-imidazole base method: the imidazole base is reacted with substituted acetophenone, and then cyclization reaction is carried out to obtain 3-Chloroisoquinoline.
Safety Information:
-Toxicity: 3-Chloroisoquinoline may cause damage to the human body when exposed or ingested in large quantities, and has certain toxicity. Care should be taken to avoid inhalation, ingestion or skin contact.
-flammability: 3-Chloroisoquinoline is a combustible substance, which may cause combustion or explosion in case of fire source, so it should be kept away from open flame and high temperature.
-Environmental impact: 3-Chloroisoquinoline has a certain environmental impact, and waste materials should be properly disposed of in accordance with regulations.
Nature:
-Appearance: 3-Chloroisoquinoline is a white to light yellow crystal or crystalline powder.
-Solubility: 3-Chloroisoquinoline is soluble in Ketone solvents, ether and dichloromethane, and slightly soluble in alcohol solvents.
-Melting point: about 48-50 ℃.
-Spectroscopic data: The nuclear magnetic resonance hydrogen spectrum (NMR) and infrared spectrum (IR) of 3-Chloroisoquinoline can provide characteristic information for its structure.
Use:
-as an intermediate: 3-Chloroisoquinoline can be used for the synthesis of a variety of pharmaceutical and pesticide intermediates, such as for the synthesis of anti-epileptic drugs, antidepressants, anticancer drugs and pesticides.
Method:
-o-dinitro aromatic compound method: 3-Chloroisoquinoline is prepared by nitration and chlorination of O-diamino aromatic compounds.
-imidazole base method: the imidazole base is reacted with substituted acetophenone, and then cyclization reaction is carried out to obtain 3-Chloroisoquinoline.
Safety Information:
-Toxicity: 3-Chloroisoquinoline may cause damage to the human body when exposed or ingested in large quantities, and has certain toxicity. Care should be taken to avoid inhalation, ingestion or skin contact.
-flammability: 3-Chloroisoquinoline is a combustible substance, which may cause combustion or explosion in case of fire source, so it should be kept away from open flame and high temperature.
-Environmental impact: 3-Chloroisoquinoline has a certain environmental impact, and waste materials should be properly disposed of in accordance with regulations.
Last Update：2024-04-09 02:00:44
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