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5006-45-1

5006-45-1 Structure

5006-45-1 Structure
IdentificationMore
[Name]

6-CHLOROCHROMONE-2-CARBOXYLIC ACID
[CAS]

5006-45-1
[Synonyms]

TIMTEC-BB SBB005445
OTAVA-BB BB7020410195
6-CHLOROCHROMONE-2-CARBOXYLIC ACID
6-chloro-4-oxo-1-benzopyran-2-carboxylate
6-CHLORO-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID
6-chloro-4-oxo-4h-1-benzopyran-2-carboxylicaci
6-chloro-4-oxo-4h-1-benzopyran-2-carboxylicacid
4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-
JRH-00403, 6-Chloro-4-oxo-4H-chromene-2-carboxylic acid, 97%
[Molecular Formula]

C10H5ClO4
[MDL Number]

MFCD00847039
[Molecular Weight]

224.6
[MOL File]

5006-45-1.mol
Chemical PropertiesBack Directory
[Melting point ]

254-256°C
[Boiling point ]

384.5±42.0 °C(Predicted)
[density ]

1.612±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

powder to crystal
[pka]

2.00±0.20(Predicted)
[color ]

White to Almost white
[InChI]

1S/C11H7ClO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3
[InChIKey]

QADCAYSHKOBAAQ-UHFFFAOYSA-N
[SMILES]

COC(C1=CC(C2=C(O1)C=CC(Cl)=C2)=O)=O
[CAS DataBase Reference]

5006-45-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[RTECS ]

DJ2260650
[HazardClass ]

IRRITANT
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 14, p. 758, 1971 DOI: 10.1021/jm00290a021
Spectrum DetailBack Directory
[Spectrum Detail]

6-CHLOROCHROMONE-2-CARBOXYLIC ACID(5006-45-1)1HNMR
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