Isoquinoline | CAS No. 119-65-3

Isoquinoline

Basic Information

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CAS Number

119-65-3

Molecular Formula

C9H7N

Molecular Weight

129.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

26-28 °C

Boiling Point

242-243 °C

Solubility

5g/l

Refractive Index

n20/D 1.623(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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c1ccc2cnccc2c1

InChI

InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

InChIKey

AWJUIBRHMBBTKR-UHFFFAOYSA-N

LogP

2.2348

pKa

5.42(at 20℃)

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

111

Safety Information

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GHS Hazard Pictograms

H302

H310

H315

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

sensitive to air

Toxicity

LD50 orally in rats: 360 mg/kg (Smyth)

Synonyms & References

English

Isoquinoline
2-AZANAPHTHALENE
2-BENZAZINE
BENZO(C)PYRIDINE
FEMA 2978
ISOCHINOLIN
LEUCOLINE
2-Benzanine
Benzopyridine
beta-Quinoline
Isoquinoline (6CI,8CI,9CI)
gliquidone intermediate
3,4-Benzopyridine
Isochinoline
ISOQINOLINE
isoqionoline
ISOQUINOLIN
iso-quinoline
Isoquinoline1000µg
Benzo[c]pyridine
.beta.-Quinoline
Isochinolin [Czech]
FEMA No. 2978
Isoquinoline, 97%
JGX76Y85M6
AWJUIBRHMBBTKR-UHFFFAOYSA-N
ISQ
beta -quinoline
PubChem7536
Isoquinoline-5,8-D2
DSSTox_RID_82471

MDL Number

MFCD00006898

Customs Code

2933499090

FAQ

What is Isoquinoline (CAS: 119-65-3)?

Isoquinoline is a heterocyclic organic compound with the chemical formula C9H9N. It is a nitrogen-containing aromatic ring system and is known for its distinctive properties, including a bitter taste and a pungent odor. Isoquinoline is a precursor in the synthesis of various pharmaceuticals and is commonly used in organic chemistry research due to its versatility and reactivity.

What are the main uses of Isoquinoline (CAS: 119-65-3)?

Isoquinoline is widely used in pharmaceuticals as a building block for drugs such as morphine and codeine. It also finds applications in the production of dyes, pesticides, and organic intermediates. Additionally, it is employed in research for its ability to form stable derivatives and its role in medicinal chemistry.

Is Isoquinoline (CAS: 119-65-3) safe?

Isoquinoline is considered toxic if ingested or inhaled. It can cause irritation to the skin, eyes, and respiratory system. Proper protective measures, such as gloves, goggles, and a fume hood, are essential when handling it. Safety standards recommend avoiding prolonged exposure and following OSHA guidelines for chemical handling.

How should Isoquinoline (CAS: 119-65-3) be stored?

Isoquinoline should be stored in a cool, dry, and dark place to maintain its stability. It is typically kept in a sealed container away from moisture and air. Storage at temperatures below 25°C is recommended, and it should be protected from light to prevent degradation. Always ensure proper ventilation and use appropriate safety equipment when handling or storing.