Description

Isoquinoline (CAS 119-65-3) is a heterocyclic aromatic organic compound with the molecular formula C₉H₇N. Structurally related to quinoline, it consists of a benzene ring fused to a pyridine ring, forming a bicyclic system. This pale yellow, hygroscopic liquid exhibits a distinctive pungent odor and is sparingly soluble in water but miscible with most organic solvents. Isoquinoline serves as a versatile building block in organic synthesis, particularly in pharmaceuticals, agrochemicals, and dyes. Its high purity grade (>98%) ensures optimal performance in research and industrial applications. Proper storage under inert conditions is recommended to prevent degradation.

Properties

• CAS Number: 119-65-3
• Complexity: 111
• IUPAC Name: isoquinoline
• InChI: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
• InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N
• Exact Mass: 129.057849228
• Molecular Formula: C9H7N
• Molecular Weight: 129.16
• SMILES: C1=CC=C2C=NC=CC2=C1
• Topological: 12.9
• Monoisotopic Mass: 129.057849228
• Physical Description: Liquid
• Density: 1.097-1.103
• Refractive Index: 1.621-1.627
• Dissociation Constants: 5.42
• Synonyms: ISOQUINOLINE, 119-65-3, 2-Benzazine, 2-Azanaphthalene, Benzo[c]pyridine, Isochinolin, beta-Quinoline, Benzo(c)pyridine, 2-Benzanine, 3,4-Benzopyridine, Isochinolin [Czech], FEMA No. 2978, NSC 3395, CCRIS 5752, EINECS 204-341-8, JGX76Y85M6, DTXSID2047644, CHEBI:16092, AI3-10035, NSC-3395, ISOQUINOLINE [MI], ISOQUINOLINE [FHFI], DTXCID0027644, EC 204-341-8, betaQuinoline, 2Azanaphthalene, 2Benzazine, 3,4Benzopyridine, 204-341-8, 4-carbomethoxy-7-(4-chlorophenylamino)-6-bromo-1,3-dimethyl-5,8-dioxo-5,8-dihydroisoquinoline, 4-carbomethoxy-7-(4-chlorophenylamino)-6-bromo-3-bromoethyl-1-methyl-5,8-dioxo-5,8-dihydroisoquinoline, inchi=1/c9h7n/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7, Isoquinoline-5,8-D2, .beta.-Quinoline, 2241982-85-2, ISQ, MFCD00006898, isoquinolin, UNII-JGX76Y85M6, beta -quinoline, 2-Azanaphthalene; 2-Benzazine; Benzo[c]pyridine; Benzopyridine; NSC 3395; ss-Quinoline, Isoquinoline, tech, MFCD31699977, Isoquinoline, 97%, Isoquinoline (Standard), 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline, SCHEMBL2080, SCHEMBL9196, SCHEMBL9436, SCHEMBL9654, SCHEMBL18036, SCHEMBL18981, SCHEMBL18987, SCHEMBL18990, WLN: T66 CNJ, CHEMBL12315, SCHEMBL197701, SCHEMBL199205, SCHEMBL448776, SCHEMBL448894, SCHEMBL449142, SCHEMBL449170, SCHEMBL449251, SCHEMBL449453, SCHEMBL449540, SCHEMBL449588, SCHEMBL449810, SCHEMBL449815, SCHEMBL451583, SCHEMBL451616, SCHEMBL451935, SCHEMBL452512, SCHEMBL452611, SCHEMBL452619, SCHEMBL453578, SCHEMBL455076, SCHEMBL455250, SCHEMBL1395705, SCHEMBL7474301, BDBM60921, FEMA 2978, Isoquinoline, analytical standard, NSC3395, BCP23537, BCP27363, HY-W012732R, Tox21_302503, BBL011362, MSK159621, SBB060380, STL146455, AKOS000119148, CS-W013448, DB04329, FI01236, HY-W012732, PS-5337, RTE3_000001, Isoquinoline, technical grade, 90-92%, NCGC00188120-01, NCGC00256872-01, CAS-119-65-3, SY246282, DB-003694, I0182, NS00010835, ST51046570, EN300-19121, PK04_181276, C06323, F52665, A804333, AC-907/25014235, AC-907/25014236, Q412316, F0001-0310, Z104472854

Application

Isoquinoline is widely used as a precursor in the synthesis of pharmaceuticals, including antimalarials, antihypertensives, and antitumor agents. It also serves as a ligand in coordination chemistry and a catalyst in organic reactions. Additionally, its derivatives are employed in the production of dyes, corrosion inhibitors, and rubber accelerators. Researchers value its role in studying alkaloid biosynthesis and developing novel bioactive compounds.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P270, P273, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (> 99.9%)
• Acute Tox. 3 (99.6%)
• Skin Irrit. 2 (93.4%)
• Eye Irrit. 2 (93.4%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.