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119-65-3

Supplier Related Products Identification Chemical Properties Safety Data Raw materials And Preparation Products Hazard Information Questions And Answer Spectrum Detail Well-known Reagent Company Product Information

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Identification

Name
Isoquinoline
CAS
119-65-3
Synonyms
2-AZANAPHTHALENE
2-BENZAZINE
BENZO(C)PYRIDINE
FEMA 2978
ISOCHINOLIN
ISOQUINOLINE
LEUCOLINE
2-Benzanine
Benzopyridine
beta-Quinoline
ISOQUINOLINE 99.9%
ISOQUINOLIN
ISOQUINOLINE, TECH., 90-92%
ISOQUINOLINE 97+%
Isoquinoline (6CI,8CI,9CI)
ISOQINOLINE
gliquidone intermediate
Isochinoline
Isoquinoline ,98%
3,4-Benzopyridine
EINECS(EC#)
204-341-8
Molecular Formula
C9H7N
MDL Number
MFCD00006898
Molecular Weight
129.16
MOL File
119-65-3.mol

Chemical Properties

Appearance
LIGHT BROWN LOW MELTLING SOLID
mp 
26-28 °C(lit.)

bp 
242-243 °C(lit.)

density 
1.099 g/mL at 25 °C(lit.)

refractive index 
n20/D 1.623(lit.)

FEMA 
2978
Fp 
225 °F

storage temp. 
2-8°C

Water Solubility 
practically insoluble
Detection Methods
GC,NMR
Merck 
14,5222
BRN 
107549
Uses
Manufacture of pharmaceuticals (such as nicotinic acid), dyes, insecticides, rubber accelerators, and in organic synthesis.
CAS DataBase Reference
119-65-3(CAS DataBase Reference)
NIST Chemistry Reference
Isoquinoline(119-65-3)
Storage Precautions
Heat sensitive
EPA Substance Registry System
119-65-3(EPA Substance)

Safety Data

Hazard Codes 
T
Risk Statements 
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R38:Irritating to the skin.
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR 
UN 2811 6.1/PG 3

WGK Germany 
2

RTECS 
NW6825000

HazardClass 
6.1
PackingGroup 
II
HS Code 
29334900

Raw materials And Preparation Products

Hazard Information

Hazard
Toxic by ingestion.

Questions And Answer

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.

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