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C4261

Sigma-Aldrich

Coumarin

≥99% (HPLC)

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Synonym(s):
1,2-Benzopyrone, 1-Benzopyran-2-one, 2H-Chromen-2-one
Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
91-64-5
Molecular Weight:
146.14
Beilstein:
383644
EC Number:
202-086-7
MDL number:
MFCD00006850
UNSPSC Code:
12352205
PubChem Substance ID:
24892679
NACRES:
NA.25

vapor pressure

0.01 mmHg ( 47 °C)

Quality Level

200

Assay

≥99% (HPLC)

form

powder

bp

298 °C (lit.)

mp

68-73 °C (lit.)

SMILES string

O=C1Oc2ccccc2C=C1

InChI

1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChI key

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

Gene Information

rat ... Maoa(29253) , Maob(25750)

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Application

Coumarin is useful as a precursor molecule for the preparation or synthesis of coumarin-based anticoagulates, antiiflammatory agents and antioxidation superoxide scavengers.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311,H317

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Skin Sens. 1

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Maria T Baltazar et al.
Toxicological sciences : an official journal of the Society of Toxicology, 176(1), 236-252 (2020-04-11)
Next-Generation Risk Assessment is defined as an exposure-led, hypothesis-driven risk assessment approach that integrates new approach methodologies (NAMs) to assure safety without the use of animal testing. These principles were applied to a hypothetical safety assessment of 0.1% coumarin in
Shigehiro Sumiya et al.
The journal of physical chemistry. A, 117(7), 1474-1482 (2013-01-25)
A coumarin-amide-dipicolylamine linkage (L) was synthesized and used as a fluorescent receptor for metal cations in water. The receptor dissolved in water with neutral pH shows almost no fluorescence due to the photoinduced electron transfer (PET) from the amide and
Shota Morimoto et al.
Chemical communications (Cambridge, England), 49(18), 1811-1813 (2013-01-26)
A photo-switchable fluorescent flagging approach has been developed to identify photoaffinity-labeled peptides in target protein. Upon photochemical release of the ligand, the protein was newly modified with a coumarin in place of the previously attached biotin. It allowed us to
Fabrizio Carta et al.
Bioorganic & medicinal chemistry, 20(7), 2266-2273 (2012-03-02)
A series of coumarins incorporating tert-butyl-dimethylsilyloxy- or allyoxy- moieties in positions 4-, 6 or 7 of the heterocyclic ring have been synthesized and then converted to the corresponding 2-thioxo-coumarins. Other derivatives incorporating hydroxyethyloxy-, tosylethoxy- and 2-fluroethyloxy- moieties in position 7
Donglei Yu et al.
Medicinal research reviews, 23(3), 322-345 (2003-03-21)
Numerous plant-derived compounds have been evaluated for inhibitory effects against HIV replication, and some coumarins have been found to inhibit different stages in the HIV replication cycle. This review article describes recent progress in the discovery, structure modification, and structure-activity
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