- Isoquinoline
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Cas Database |
| Name |
Isoquinoline |
EINECS | 204-341-8 |
| CAS No. | 119-65-3 | Density | 1.099 g/cm3 |
| PSA | 12.89000 | LogP | 2.23480 |
| Solubility | practically insoluble in water | Melting Point |
26-28 °C(lit.) |
| Formula | C9H7N | Boiling Point | 234.1 °C at 760 mmHg |
| Molecular Weight | 129.161 | Flash Point | 101.1 °C |
| Transport Information | UN 2811 6.1/PG 3 | Appearance | light brown low meltling solid |
| Safety | 36/37-45-36/37/39 | Risk Codes | 22-24-38 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
2-Azanaphthalene;2-Benzazine;Benzo[c]pyridine;NSC 3395;b-Quinoline; |
Article Data | 308 |
Isoquinoline Synthetic route
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature; | 98% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| With pyridine hydrochloride for 10h; Heating; | 96% |
| With sulfolane; triphenylphosphine at 151℃; Rate constant; |
- 19493-44-8
1-chloroisoquinoline
- 119-65-3
isoquinoline
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 135℃; for 2.5h; | A 77% B 92% |
- 36556-06-6
5,6,7,8-tetrahydroisoquinoline
- 119-65-3
isoquinoline
| Conditions | Yield |
|---|---|
| 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% |
Isoquinoline Chemical Properties
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
Isoquinoline Uses
Isoquinoline (CAS NO.119-65-3) can be used in pesticide, medicine, rubber accelerator, color film sensitizing agents, dyes and other products.
Isoquinoline 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.
Isoquinoline 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. |
Isoquinoline Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Isoquinoline 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: T
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
Isoquinoline 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 .
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