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Heterocyclic building blocks

3-Chlorocinnoline

Also known as Cinnoline, 3-chloro-, chlorocinnoline

CAS 17404-90-9Formula C8H5ClN2Molar mass 164.60 g/molEC 865-425-3
GHS signal word: Warning. Pictograms: Harmful or irritant
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3-Chlorocinnoline chemical structure, C8H5ClN2, CAS 17404-90-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17404-90-9
Formula
C8H5ClN2
Molar mass
164.60 g/mol
EC number
865-425-3
HS code
293399
Category
Heterocyclic building blocks

What is 3-Chlorocinnoline?

Plain description, key identifiers and synonyms

3-Chlorocinnoline is a chemical substance with the molecular formula C8H5ClN2 and a molar mass of 164.60 g/mol. Its CAS registry number is 17404-90-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-chlorocinnoline
CAS number
17404-90-9 CAS number cross-checked
EC numbers
865-425-3, 928-772-2
Molecular formula
C8H5ClN2
MDL number
MFCD01646204
InChIKey
REUOCJLVDZPJEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C=C(N=N2)Cl

Synonyms

  • Cinnoline, 3-chloro-
  • chlorocinnoline

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
164.60 g/molcalc.
Exact mass
164.0141 Dacalc.
LogP (octanol/water)
2.28calc.
Topological polar surface area
25.78 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
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, c1ccc2nnccc2c1

c1ccc2nnccc2c1

2 rings, 10 atoms, the Cinnoline ring system.

502 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • P271Use only outdoors or in a well-ventilated area.
  • 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.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • 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.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

3-Chlorocinnoline suppliers

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3-Chlorocinnoline 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Chlorocinnoline is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Chlorocinnoline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Chlorocinnoline, based on the data on this page

What is 3-Chlorocinnoline?

3-Chlorocinnoline is a chemical substance with the molecular formula C8H5ClN2 and a molar mass of 164.60 g/mol. Its CAS registry number is 17404-90-9.

What is the CAS number of 3-Chlorocinnoline?

The CAS registry number of 3-Chlorocinnoline is 17404-90-9.

What is the molecular formula and weight of 3-Chlorocinnoline?

The molecular formula of 3-Chlorocinnoline is C8H5ClN2 and its molar mass is 164.60 g/mol.

What is 3-Chlorocinnoline used for?

Known uses and roles of 3-Chlorocinnoline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Chlorocinnoline hazardous?

3-Chlorocinnoline carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Chlorocinnoline?

3-Chlorocinnoline is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Chlorocinnoline?

Post a free request on CompoundList and suppliers of 3-Chlorocinnoline will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Chlorocinnoline?

Suppliers quote 3-Chlorocinnoline 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 3-Chlorocinnoline

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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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