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Merck
CN

C4261

Coumarin

≥99% (HPLC)

Synonym(s):

1,2-Benzopyrone, 1-Benzopyran-2-one, 2H-Chromen-2-one

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About This Item

Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
91-64-5
Molecular Weight:
146.14
UNSPSC Code:
12352205
NACRES:
NA.25
PubChem Substance ID:
24892679
EC Number:
202-086-7
Beilstein/REAXYS Number:
383644
MDL number:
MFCD00006850

Key Documents

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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

signalword

Danger

Hazard Classifications

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

323.6 °F - closed cup

flash_point_c

162 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000541509
0000541510
0000541508
0000541510
0000541509

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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
Klaus Abraham et al.
Molecular nutrition & food research, 54(2), 228-239 (2009-12-22)
Coumarin is a secondary phytochemical with hepatotoxic and carcinogenic properties. For the carcinogenic effect, a genotoxic mechanism was considered possible, but was discounted by the European Food Safety Authority in 2004 based on new evidence. This allowed the derivation of
María E Riveiro et al.
Bioorganic & medicinal chemistry, 17(18), 6547-6559 (2009-09-01)
The presumption that some coumarins might be lead compounds in the search for new differentiation agents against leukemia is based on the fact that natural coumarins, 5-(3-methyl-2-butenyloxy)-6,7-methylenedioxycoumarin (C-2) and 5-methoxy-6,7-methylenedioxycoumarin (C-1) inhibit proliferation and induce differentiation in U-937 cells [Riveiro
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
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
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Global Trade Item Number

SKUGTIN
C4261-500G04061833491904
C4261-50G04061833491911
C4261-100G04061833491898

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