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Heterocyclic building blocks

Coumarin 337

Also known as Coumarin 523, 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile

CAS 55804-68-7Formula C16H14N2O2Molar mass 266.30 g/molEC 259-827-2
GHS signal word: Warning. Pictograms: Harmful or irritant
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Coumarin 337 chemical structure, C16H14N2O2, CAS 55804-68-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55804-68-7
Formula
C16H14N2O2
Molar mass
266.30 g/mol
EC number
259-827-2
HS code
293499
Category
Heterocyclic building blocks

What is Coumarin 337?

Plain description, key identifiers and synonyms

Coumarin 337 is a chemical substance with the molecular formula C16H14N2O2 and a molar mass of 266.30 g/mol. Its CAS registry number is 55804-68-7. The IUPAC name is 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
CAS number
55804-68-7 CAS number cross-checked
EC number
259-827-2
Molecular formula
C16H14N2O2
UNII
7PZP222LOZ
MDL number
MFCD00051332
InChIKey
LGDDFMCJIHJNMK-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2
SMILES (canonical and isomeric)
C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1

Synonyms

  • Coumarin 523
  • 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile
  • 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile
  • 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-
  • 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-
  • 10-Cyano-1,2,5,6-tetrahydro-3H,7H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one
  • 11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile
  • 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
  • 1H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-
  • Coumarin337
  • quinolizine-10-carbonitrile
  • Coumarin 337 Solution in Acetonitrile, 100ug/mL
  • Coumarin 337 Solution in Acetonitrile, 1000ug/mL
  • 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]
  • (2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]-benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile)
  • 11-Oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile
  • 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0?,?.0??,??]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile

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
266.30 g/molcalc.
Exact mass
266.1055 Dacalc.
LogP (octanol/water)
2.36calc.
Topological polar surface area
57.24 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
20calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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, O=c1ccc2cc3c4c(c2o1)CCCN4CCC3

O=c1ccc2cc3c4c(c2o1)CCCN4CCC3

4 rings, 18 atoms, the LD 490 ring system.

35 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

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
Precautionary statements (17)
  • 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.
  • P317Get medical help.
  • 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.
  • 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

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Coumarin 337 price

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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

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 Coumarin 337 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Coumarin 337 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Coumarin 337, based on the data on this page

What is Coumarin 337?

Coumarin 337 is a chemical substance with the molecular formula C16H14N2O2 and a molar mass of 266.30 g/mol. Its CAS registry number is 55804-68-7. The IUPAC name is 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile.

What is the CAS number of Coumarin 337?

The CAS registry number of Coumarin 337 is 55804-68-7.

What is the molecular formula and weight of Coumarin 337?

The molecular formula of Coumarin 337 is C16H14N2O2 and its molar mass is 266.30 g/mol.

What is Coumarin 337 used for?

Known uses and roles of Coumarin 337 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Coumarin 337 hazardous?

Coumarin 337 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Coumarin 337?

Coumarin 337 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Coumarin 337?

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What is the price of Coumarin 337?

Suppliers quote Coumarin 337 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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