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119-65-3

Basic Information
CAS No.: 119-65-3
Name: Isoquinoline
Article Data: 308
Molecular Structure:
Molecular Structure of 119-65-3 (Isoquinoline)
Formula: C9H7N
Molecular Weight: 129.161
Synonyms: 2-Azanaphthalene;2-Benzazine;Benzo[c]pyridine;NSC 3395;b-Quinoline;
EINECS: 204-341-8
Density: 1.099 g/cm3
Melting Point: 26-28 °C(lit.)
Boiling Point: 234.1 °C at 760 mmHg
Flash Point: 101.1 °C
Solubility: practically insoluble in water
Appearance: light brown low meltling solid
Hazard Symbols: ToxicT
Risk Codes: 22-24-38
Safety: 36/37-45-36/37/39
Transport Information: UN 2811 6.1/PG 3
PSA: 12.89000
LogP: 2.23480
Synthetic route
2859-58-7

1,2-dihydroisoquinoline

119-65-3

isoquinoline

Conditions
ConditionsYield
With chlorosulfonic acid at 100℃; for 0.166667h;100%
With C22H22Cl2FeN2O8(2-)*2C16H36N(1+); oxygen In neat (no solvent) at 100℃; under 760.051 Torr; for 1h; Green chemistry;99%
54243-41-3

isoquinoline-N-oxide hydrate

119-65-3

isoquinoline

Conditions
ConditionsYield
With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature;98%
91-21-4

1,2,3,4-tetrahydroisoquinoline

119-65-3

isoquinoline

Conditions
ConditionsYield
With manganese(IV) oxide at 105℃; for 0.0416667 - 0.0666667h; Inert atmosphere; Microwave irradiation;97%
With ethene; 5%-palladium/activated carbon In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; under 760.051 Torr; for 1h; Molecular sieve; Autoclave;92%
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II) In 1,3,5-trimethyl-benzene at 165℃; for 24h; Inert atmosphere;91%
1532-72-5

isoquinoline N-oxide

119-65-3

isoquinoline

Conditions
ConditionsYield
With palladium on activated charcoal; tetrabutylammomium bromide; water; sodium hydroxide; silicon at 100℃; for 6h; Reagent/catalyst;97%
With ammonium formate; palladium on activated charcoal In methanol at 40℃; for 0.25h;96%
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Irradiation; chemoselective reaction;96%
486-73-7

1-isoquinolinecarboxylic acid

119-65-3

isoquinoline

Conditions
ConditionsYield
With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 120℃; for 16h;97%
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h;92%
With methanol at 40℃; for 48h; Schlenk technique; Irradiation; Inert atmosphere;72%
In 1-methyl-pyrrolidin-2-one at 170℃; for 16h; Inert atmosphere;98 %Chromat.
3947-77-1

2-methylisoquinolinium iodide

119-65-3

isoquinoline

Conditions
ConditionsYield
With pyridine hydrochloride for 10h; Heating;96%
With sulfolane; triphenylphosphine at 151℃; Rate constant;
19493-44-8

1-chloroisoquinoline

119-65-3

isoquinoline

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 25℃; for 3h; Inert atmosphere;95%
With phosphorus; hydrogen iodide at 170 - 180℃;
With ZnSe/CdS core/shell QDs; N-ethyl-N,N-diisopropylamine In hexane at 25℃; for 24h; Irradiation; Inert atmosphere;33 %Chromat.
3230-65-7

3,4-dihydroisoquinoline

119-65-3

isoquinoline

Conditions
ConditionsYield
With potassium tert-butylate In decane at 150℃; for 36h; Inert atmosphere; Schlenk technique;93%
With potassium tert-butylate In o-xylene at 140℃; for 36h; Inert atmosphere;90%
With palladium at 190℃;
With [iPrPN(H)P]2Fe(H)(CO)(BH4) In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 30h; Inert atmosphere; Schlenk technique; Glovebox;
17954-26-6

1,2-dihydro-2-phenoxycarbonylisoquinoline-1-carbonitrile

65-85-0

benzoic acid

A

119-65-3

isoquinoline

B

93-99-2

benzoic acid phenyl ester

Conditions
ConditionsYield
at 135℃; for 2.5h;A 77%
B 92%
36556-06-6

5,6,7,8-tetrahydroisoquinoline

119-65-3

isoquinoline

Conditions
ConditionsYield
With ethene; 5%-palladium/activated carbon In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; under 760.051 Torr; for 8h; Molecular sieve; Autoclave;92%
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    Product Name: Isoquinoline CAS: 119-65-3 MF: C9H7N MW: 129.16 EINECS: 204-341-8 Mol File: 119-65-3.mol Isoquinoline Structure Isoquinoline Chemical Properties Melting point 26-28 °C (lit.) Boiling point 242-243 °C

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Chemistry

Product Name: Isoquinoline (CAS NO.119-65-3)
IUPAC Name: isoquinoline

CAS Number:119-65-3
Molecular Formula:C9H7N
Molecular Weight:129.17
EINECS: 204-341-8
Density: 1.099
Melting Point: 24-28°C
Boiling Point: 242°C
Flash Point: 107°C
Appearance:Slightly Yellow Solidified Mass Or Fragments
Refractive index: n20/D 1.623(lit.)
Storage temp.: 2-8°C
Merck: 14,5222
BRN: 107549
Product Categories: PYRIDINE; Quinoline&Isoquinoline; Building Blocks; Heterocyclic Building Blocks; Isoquinolines

Uses

Isoquinoline (CAS NO.119-65-3) can be used in pesticide, medicine, rubber accelerator, color film sensitizing agents, dyes and other products.

Production

 Isoquinoline (CAS NO.119-65-3) can be produced from the boiling range of 238 ~ 250 °C of the coal-tar derived by repeated freezing separation.

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open SEV

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.    

eye-rbt 250 µg open SEV

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
3.    

orl-rat LD50:360 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.    

skn-rbt LD50:590 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

A poison by ingestion. Moderately toxic by skin contact. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Isoquinoline (CAS NO.119-65-3).
Hazard Codes: TToxic
Risk Statements: 22-24-38 
R22:Harmful if swallowed. 
R24:Toxic in contact with skin. 
R38:Irritating to skin.
Safety Statements: 36/37-45-36/37/39 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever 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 

Specification

 Isoquinoline , its CAS NO. is 119-65-3, the synonyms are 2-Azanaphthalene ; 2-Benzazine ; 3,4-Benzopyridine ; Benzo(c)pyridine ; Leucoline ; beta-Quinoline .