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Isoquinoline chemical structure, C9H7N, CAS 119-65-3
2D chemical structure

Key facts

What buyers check first

CAS number
119-65-3
Formula
C9H7N
Molar mass
129.16 g/mol
Physical form
Liquid
HS code
293349
Category
Impurities and reference standards
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Isoquinoline?

Plain description, key identifiers and synonyms

Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a member of isoquinolines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
isoquinoline
CAS number
119-65-3 CAS number cross-checkedOther or deprecated CAS: 2241982-85-2
EC number
204-341-8
Molecular formula
C9H7N
UNII
JGX76Y85M6
MDL number
MFCD00006898
InChIKey
AWJUIBRHMBBTKR-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
SMILES (canonical and isomeric)
C1=CC=C2C=NC=CC2=C1

Synonyms

  • 2-Benzazine
  • 2-Azanaphthalene
  • Leucoline
  • beta-Quinoline
  • Isochinolin
  • Benzo[c]pyridine
  • 3,4-Benzopyridine
  • Benzo(c)pyridine
  • 7-methoxy-1,6-dimethylisoquinoline-5,8-dione
  • 2-Benzanine
  • Isoquinoline-5,8-D2
  • ISQ
  • isochinoline
  • isoquinolin
  • beta -quinoline
  • 2-Azanaphthalene, 2-Benzazine, Benzo[c]pyridine, Benzopyridine, NSC 3395, ss-Quinoline
  • Isoquinoline, tech
  • Isoquinoline, 97%
  • Fasudil Impurity 51
  • Isoquinoline (Standard)
  • Isoquinoline, analytical standard
  • Isoquinoline, technical grade, 90-92%
  • Isoquinoline(Discontinued,See C4X-136551)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
129.16 g/molcalc.
Exact mass
129.0578 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
12.89 ร…ยฒcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2cnccc2c1

c1ccc2cnccc2c1

2 rings, 10 atoms. This chemical is the scaffold itself.

5,395 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (17)
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Isoquinoline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 85 suppliers
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Isoquinoline price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industrial uses: Catalyst.

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isoquinoline is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whetherโ€ฆ

World exports in 2024
$939M
โˆ’14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isoquinoline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isoquinoline, based on the data on this page

What is Isoquinoline?

Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a member of isoquinolines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.

What is the CAS number of Isoquinoline?

The CAS registry number of Isoquinoline is 119-65-3. Other or deprecated CAS numbers: 2241982-85-2.

What is the molecular formula and weight of Isoquinoline?

The molecular formula of Isoquinoline is C9H7N and its molar mass is 129.16 g/mol.

What is Isoquinoline used for?

Industrial uses: Catalyst.

Is Isoquinoline hazardous?

Isoquinoline carries the GHS signal word "Danger". Main hazards: harmful if swallowed, toxic in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isoquinoline?

Isoquinoline is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whetherโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoquinoline?

CompoundList lists 85 suppliers of Isoquinoline in China, United States, Germany, United Kingdom and 10 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isoquinoline in India?

2 suppliers in India list Isoquinoline on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isoquinoline?

Suppliers quote Isoquinoline on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isoquinoline

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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