Isoquinoline

Isoquinoline

Isoquinoline

Min.Order / FOB Price:Get Latest Price

1 Kilogram

Negotiable

  • Min.Order :1 Kilogram
  • Purity: 99%
  • Payment Terms : L/C,D/A,D/P,T/T,Other

Keywords

Isoquinoline 119-65-3 C9H7N

Quick Details

  • Appearance:Colorless Flaky Crystal Or Liquid
  • Application:In medicine, dyes intermediates
  • PackAge:As required
  • ProductionCapacity:5|Metric Ton|Month
  • Storage:dry and cool in stable temperature
  • Transportation:by sea or by air

Superiority:

Changzhou Xuanming Chemical Co., Ltd. is dedicated to the technology development, manufacturing, import and export chemicals, which are specialized in pharmaceutical intermediates, pesticide intermediate, industry of fine chemicals and custom synthesis. Now, we enjoy good reputation among customers and take favorable market share in domestic and at abroad.

Changzhou Xuanming Chemical CO., LTD is located in Northern Jiangshu Industry Park, we have modern manufacture bases and some laboratories, which can supply the key intermediate for your projects, and short your synthesis scheme and supply you a reference compound for bioassay or a high purity analytical standard. We have been abided by “treat technology as first, quality as basis, customers as God, and be honest and sincere”. It is our final aim to provide environmental and high technological products and meet customers’ requirements according to keep effors on developing new chemical fields.

Changzhou Xuanming Chemical CO., LTD promises to help you with heart and soul.

Details:

Isoquinoline Basic information
Chemical Properties Usage Usage limitation Preparation Content analysis Category Toxicity grade Toxicity Acute toxicity Stimulus data Flammability hazard characteristics Storage Fire extinguishing agent
Product Name: Isoquinoline
Synonyms: ISOQINOLINE;gliquidone intermediate;Isochinoline;Isoquinoline ,98%;3,4-Benzopyridine;Isoquinoline,99%;Isoquinoline purum>=97%;ISOQUINOLINE FOR SYNTHESIS 100 ML
CAS: 119-65-3
MF: C9H7N
MW: 129.16
EINECS: 204-341-8
Product Categories: PYRIDINE;Quinoline&Isoquinoline;Building Blocks;Heterocyclic Building Blocks;Isoquinolines;Building Blocks;-;Chemical Synthesis;Heterocyclic Building Blocks
Mol File: 119-65-3.mol
Isoquinoline Structure
 
Isoquinoline Chemical Properties
Melting point  26-28 °C(lit.)
Boiling point  242-243 °C(lit.)
density  1.099 g/mL at 25 °C(lit.)
refractive index  n20/D 1.623(lit.)
FEMA  2978 | ISOQUINOLINE
Fp  225 °F
storage temp.  2-8°C
solubility  5g/l
pka 5.42(at 20℃)
form  Low Melting Solid
color  Light brown
PH 7.5 (5g/l, H2O, 20℃)
Water Solubility  practically insoluble
Merck  14,5222
JECFA Number 1303
BRN  107549
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
CAS DataBase Reference 119-65-3(CAS DataBase Reference)
NIST Chemistry Reference Isoquinoline(119-65-3)
EPA Substance Registry System Isoquinoline(119-65-3)
 
Safety Information
Hazard Codes  T
Risk Statements  22-24-38-52/53-36/38-21/22-45
Safety Statements  36/37-45-36/37/39-61-53
RIDADR  UN 2811 6.1/PG 3
WGK Germany  2
RTECS  NW6825000
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29334900
Toxicity LD50 orally in rats: 360 mg/kg (Smyth)
Isoquinoline Usage And Synthesis
Chemical Properties Colorless flaky crystal or liquid, similar fragrance to bitter almonds and Chervil, sweet taste, melting point 23℃，boiling point 243℃, soluble in ethanol and non-volatile oil, diluted inorganic acid and most organic solvents, slightly soluble in water.
Usage
  • A kind of Spice
  • Mainly used for the preparation of vanilla spice.   
  • Used in the production of pesticides, medicine, rubber accelerator, color film sensitizing agent, dyes, anion exchange resin and so on.
  • Used as gas chromatographic stationary liquid and analytical reagent,
  • Used in the pharmaceutical industry.
  • Used for the production of drugs for prevention and treatment of schistosomiasis (praziquantel), antimalarial, chemical reagents, etc.
  • Isoquinoline can be oxidized to produce Pyridine carboxylic acid And Its derivatives can be used for the production of color films and dyes.  It can be used as Iron preservative, soluble phenolic resin curing agent, etc. Its Addition compounds formed with metals can be used for the quantitative determination of nickel and cadmium and the qualitative determination of noble metal. Isoquinoline can also be used as a catalyst in the benzoylation reaction and polymerization of α-olefin.
Usage limitation FEMA(mg/kg): Soft drinks 0.25,, cold drinks 0.25, sweets1.0； bakery products 0.004-1.0, moderate use (FDA§172．515，2000).
Preparation Crude quinoline containing 83% quinoline, 15% isoquinoline and 2% methyl quinoline can be used as the raw material for the production of isoquinoline. However, the Distillation section from 237.5-239.5℃ and 243-246℃ is generally collected and used as the raw material for the extraction of isoquinoline. 13-28% of 2-methyl quinoline and 3.9% quinoline can be separated from this distillation section in the form of hydrochloride salt.
The isoquinoline fraction reacted with 98% sulfuric acid at 35℃ in alcohol solution to produce isoquinoline sulfonate. Isoquinoline sulfonate crystallizes faster than its homologues in the cooling process. After filtration, recrystallization was carried out with 85% ethanol, and then decomposed with 20% ammonia water. The generated oil layer was firstly washed with water, and then rectified to collect the fraction at242-243℃to obtain Isoquinoline with purity greater than 95%  It is separated by repeated freezing the coal tar with the boiling rangeat 238～250℃.
Content analysis Determined by Gas chromatography and liquid chromatography and the chromatographic test conditions are the same as α-allyl ionone (03411).
Category flammable liquid
Toxicity grade middle toxic
Toxicity GRAS(FEMA)
Acute toxicity Oral – rat LD50: 360mg/kg
Stimulus data Skin-rabbit  10 mg/24h mild;  eye-rabbit 250 μg severe.
Flammability hazard characteristics Flammable in case of fire, high temperature and oxidants, Combustion produces toxic nitrogen oxide smog.
Storage Completely packed, handle with care; Ventilated warehouse, away from open flame, high temperature, separated from strong acids.
Fire extinguishing agent foam, carbon dioxide, dry powder, dry sand, water spray.
Description Isoquinoline has an odor reminiscent of benzaldehyde and anise. Isoquinoline may be obtained from coal tar (238 - 250°C boiling fraction); it is isolated as the sulfate or as is by repeated freezing.
Chemical Properties Isoquinoline has a heavy sweet balsamic, herbaceous odor.
Chemical Properties LIGHT BROWN LOW MELTLING SOLID
Occurrence Reported found in milk and dried bonito; also occurs in coal tar, where it is formed during the dry distillation of coal
Uses Manufacture of pharmaceuticals (such as nicotinic acid), dyes, insecticides, rubber accelerators, and in organic synthesis.
Uses It is used in the manufacture of dyes, pharmaceuticals,and insecticides, and as an antimalarialagent.
Preparation Obtained from coal tar (238 to 250°C boiling fraction); it is isolated as the sulfate or as is by repeated freezing
Definition ChEBI: An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
Hazard Toxic by ingestion.
Health Hazard The toxic properties of this compound aresimilar to those of quinoline. It is moderatelytoxic in rats and rabbits by oral routeand skin absorption. The oral LD50 value inrats is 360 mg/kg. The irritation effects onskin and eyes in rabbits were moderate tosevere. Carcinogenicity due to isoquinolinein animals or humans is not known. The histidinereversion–Ames test for mutagenicitywas inconclusive.
Fire Hazard Noncombustible liquid (solid).
Purification Methods Dry isoquinoline with Linde type 5A molecular sieves or Na2SO4 and fractionally distil at reduced pressure. Alternatively, it can be refluxed with, and distilled from, BaO. It is also purified by fractional crystallisation from the melt and distilled from zinc dust. It forms a phosphate (m 135o) and a picrate (m 223o), which are purified by crystallisation, and the free base can be recovered and distilled. [Packer et al. J Am Chem Soc 80 905 1958.] The procedure for purification via the picrate comprises the addition of quinoline to picric acid dissolved in the minimum volume of 95% EtOH to yield yellow crystals which are washed with EtOH and air dried before recrystallising from acetonitrile. The crystals are dissolved in dimethyl sulfoxide (previously dried over 4A molecular sieves) and passed through a basic alumina column, on which picric acid is adsorbed. The free base in the effluent is extracted with n-pentane and distilled under vacuum. Traces of solvent from small quantities are removed by vapour phase chromatography. The hydrochloride crystallises from EtOH with m 193o. [Mooman & Anton J Phys Chem 80 2243 1976, Beilstein 20 II 236, 20 III/IV 3410, 20/7 V 333.]

 

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