ChemicalBook--->CAS DataBase List--->1076-38-6

1076-38-6

1076-38-6 Structure

1076-38-6 Structure
IdentificationMore
[Name]

4-Hydroxycoumarin
[CAS]

1076-38-6
[Synonyms]

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-
4-coumarinyl alcohol
4-HYDROXY-1-BENZOPYRAN-2-ONE
4-HYDROXY-2H-1-BENZOPYRAN-2-ONE
4-HYDROXY-2H-CHROMEN-2-ONE
4-HYDROXY-CHROMEN-2-ONE
4-HYDROXYCOUMARIN
4-HYDROXYCUMARIN
AKOS BBS-00000696
COUMARINOL
HYDROXYCOUMARIN, 4-
4-Coumarinol
4-Coumaryl alcohol
4-hydroxy-2h-1-benzopyran-2-on
4-hydroxy-coumari
4-Hydroxycoumarine
Benzotertonicacid
Benzotetronic acid
Coumarin, 4-hydroxy-
4-HYDROXYCOUMARIN, FOR FLUORESCENCE
[EINECS(EC#)]

214-060-2
[Molecular Formula]

C9H6O3
[MDL Number]

MFCD00006856
[Molecular Weight]

162.14
[MOL File]

1076-38-6.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow powder or chunks
[Melting point ]

211-213 °C (lit.)
[mp ]

211-213 °C(lit.)
[Boiling point ]

228.82°C (rough estimate)
[density ]

1.1734 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

4.50±1.00(Predicted)
[color ]

Clear colorless to slightly yellow
[Water Solubility ]

PRACTICALLY INSOLUBLE
[Detection Methods]

HPLC,NMR
[BRN ]

129768
[InChIKey]

VXIXUWQIVKSKSA-UHFFFAOYSA-N
[CAS DataBase Reference]

1076-38-6(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Hydroxycoumarin(1076-38-6)
[EPA Substance Registry System]

1076-38-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DJ3100000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29322980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Sodium sulfate-->Benzene-->Sodium hydride-->Sodium acetate-->Mineral oil-->Diethyl carbonate-->2'-Hydroxyacetophenone-->Acetoxyacetic acid-->O-ACETYLSALICYLOYL CHLORIDE-->ACETYLSALICYLIC ACID METHYL ESTER
[Preparation Products]

Warfarin-->Bromadiolone-->Brodifacoum-->p-Coumaric acid-->Flocoumafen-->Coumatetralyl-->ACENOCOUMAROL-->reversible temperature indication paint (III)-->4-HYDROXY-2-OXO-2H-CHROMENE-3-CARBALDEHYDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Hydroxy-1-benzopyran-2-one(1076-38-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder or chunks
[Uses]

4-Hydroxy Coumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase.
[Uses]

4-Hydroxycoumarin may be regarded as a phenylenetetronic acid , and like tetronic acid forms condensation products with aldehydes.
RuCl3.nH2O catalyzed synthesis of biscoumarins
Synthesis of biscoumarin derivatives by the reaction of aldehydes and 4-hydroxycoumarin using ruthenium(III) chloride hydrate as a versatile homogeneous catalyst.
[Definition]

ChEBI: A hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 25, p. 677, 1960 DOI: 10.1021/jo01074a630
[Purification Methods]

Crystallise 4-hydroxycoumarin from water and dry it in a vacuum desiccator over pKEst Sicapent. [Beilstein 18/1 V 378.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Hydroxycoumarin(1076-38-6)MS
4-Hydroxycoumarin(1076-38-6)1HNMR
4-Hydroxycoumarin(1076-38-6)13CNMR
4-Hydroxycoumarin(1076-38-6)IR1
4-Hydroxycoumarin(1076-38-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Hydroxycoumarin, 98%(1076-38-6)
[Alfa Aesar]

4-Hydroxycoumarin, 98+%(1076-38-6)
[Sigma Aldrich]

1076-38-6(sigmaaldrich)
[TCI AMERICA]

4-Hydroxycoumarin,>98.0%(T)(1076-38-6)
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