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531-81-7

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531-81-7 Usage

Chemical Properties

light brown crystalline powder

Uses

Coumarin-3-carboxylic acid is used as pharmaceutical intermediate.

Purification Methods

The acid crystallises from water. [Beilstein 18/8 V 323.]

Check Digit Verification of cas no

The CAS Registry Mumber 531-81-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,3 and 1 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 531-81:
(5*5)+(4*3)+(3*1)+(2*8)+(1*1)=57
57 % 10 = 7
So 531-81-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)/p-1

531-81-7 Well-known Company Product Price

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  • Alfa Aesar

  • (L07133)  Coumarin-3-carboxylic acid, 98%   

  • 531-81-7

  • 25g

  • 516.0CNY

  • Detail
  • Alfa Aesar

  • (L07133)  Coumarin-3-carboxylic acid, 98%   

  • 531-81-7

  • 100g

  • 1812.0CNY

  • Detail
  • Aldrich

  • (C85603)  Coumarin-3-carboxylicacid  99%

  • 531-81-7

  • C85603-25G

  • 666.90CNY

  • Detail

531-81-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Coumarin-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names 2-oxochromene-3-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:531-81-7 SDS

531-81-7Relevant articles and documents

Coumarin-Fused Coumarin: Antioxidant Story from N, N -Dimethylamino and Hydroxyl Groups

Xi, Gao-Lei,Liu, Zai-Qun

, p. 3516 - 3523 (2015)

Two coumarin skeletons can form chromeno[3,4-c]chromene-6,7-dione by sharing with the C=C in lactone. The aim of the present work was to explore the antioxidant effectiveness of the coumarin-fused coumarin via six synthetic compounds containing hydroxyl and N,N-dimethylamino as the functional groups. The abilities to quench 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonate) cationic radical (ABTS+?), 2,2′-diphenyl-1-picrylhydrazyl radical (DPPH), and galvinoxyl radical revealed that the rate constant for scavenging radicals was related to the amount of hydroxyl group in the scaffold of coumarin-fused coumarin. But coumarin-fused coumarin was able to inhibit DNA oxidations caused by ?OH, Cu2+/glutathione (GSH), and 2,2′-azobis(2-amidinopropane hydrochloride) (AAPH) even in the absence of hydroxyl group. In particular, a hydroxyl and an N,N-dimethylamino group locating at different benzene rings increased the inhibitory effect of coumarin-fused coumarin on AAPH-induced oxidation of DNA about 3 times higher than a single hydroxyl group, whereas N,N-dimethylamino-substituted coumarin-fused coumarin possessed high activity toward ?OH-induced oxidation of DNA without the hydroxyl group contained. Therefore, the hydroxyl group together with N,N-dimethylamino group may be a novel combination for the design of coumarin-fused heterocyclic antioxidants.

Synthesis of coumarin based Knoevenagel-Ugi adducts by a sequential one pot five-component reaction and their biological evaluation as anti-bacterial agents

Kumar, Sitanshu,Mukesh, Kapil,Harjai, Kusum,Singh, Vasundhara

, p. 8 - 12 (2019)

An efficient multicomponent synthesis of Ugi compounds comprising coumarin backbone has been achieved by employing one pot five component sequential Knoevenagel-Ugi reaction. This method offers the advantages of easy handling procedure, atom economy, mild reaction conditions and good yields of products. A molecular library was synthesized by changing the substituents on two of the independent starting materials. The synthesized compounds were also tested for anti-microbial activities and were found to be moderate to good anti-bacterial agents.

Blue fluorescence from pyridinyl coumarincarboxymides structure having high quantum yield in solution

Cui, Yanhong,Li, Yujin,Tang, Xue,Xue, Shuai,Yu, Zihua,Zhou, Zichun

, (2021/08/24)

Small molecules having fluorescence quantum yields are required to promote biological and organic material applications. In this work, we introduced a series of pyridinyl coumarincarboxymides derivatives, namely 4-XP. These compounds exhibited intense blue fluorescence with high fluorescence quantum yield. By spectral measurement and analysis, it is identified that these pyridine-coumarin conjugates displayed high fluorescence quantum yields (ΦF = 0.77–0.82) blue fluorescence at about 455 nm in nonpolar solvents. Additionally, the solvent effect and fluorescence properties were verified and explained by DFT and TD-DFT calculations.

3-carboxylic acid and formyl-derived coumarins as photoinitiators in photo-oxidation or photo-reduction processes for photopolymerization upon visible light: Photocomposite synthesis and 3d printing applications

Dumur, Frédéric,Gigmes, Didier,Graff, Bernadette,Hamieh, Tayssir,Lalevée, Jacques,Noirbent, Guillaume,Rahal, Mahmoud,Toufaily, Joumana

, (2021/06/16)

In this paper, nine organic compounds based on the coumarin scaffold and different substituents were synthesized and used as high-performance photoinitiators for free radical pho-topolymerization (FRP) of meth(acrylate) functions under visible light irradiation using LED at 405 nm. In fact, these compounds showed a very high initiation capacity and very good polymerization profiles (both high rate of polymerization (Rp) and final conversion (FC)) using two and three-component photoinitiating systems based on coum/iodonium salt (0.1%/1% w/w) and coum/iodonium salt/amine (0.1%/1%/1% w/w/w), respectively. To demonstrate the efficiency of the initiation of photopolymerization, several techniques were used to study the photophysical and photochemical properties of coumarins, such as: UV-visible absorption spectroscopy, steady-state photolysis, real-time FTIR, and cyclic voltammetry. On the other hand, these compounds were also tested in direct laser write experiments (3D printing). The synthesis of photocomposites based on glass fiber or carbon fiber using an LED conveyor at 385 nm (0.7 W/cm2 ) was also examined.

Synthesis and Luminescent Properties of Eu3+ and Tb3+ Complexes with Coumarin-3-carboxylic Acids

Gromak,Kolokolov,Dotsenko,Aksenov,Aksenova

, p. 685 - 692 (2021/06/02)

Abstract: New Eu3+ and Tb3+ complex compounds [Ln(H2O)2L2]Cl?H2O were synthesized on the basis of coumarin-3-carboxylic acid and its derivatives. Composition and structure of the ligands an

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