ChemicalBook--->CAS DataBase List--->577-68-4

577-68-4

577-68-4 Structure

577-68-4 Structure
IdentificationBack Directory
[Name]

m-Hemipinic acid
[CAS]

577-68-4
[Synonyms]

m-hemipic acid
m-Hemipinic acid
Metahemipinic acid
4,5-Dimethoxyphthalic acid
4,5-Dimethoxy-1,2-benzenedicarboxylic acid
4,5-dimethoxybenzene-1,2-dicarboxylic acid
1,2-Benzenedicarboxylic acid, 4,5-dimethoxy-
[Molecular Formula]

C10H10O6
[MOL File]

577-68-4.mol
[Molecular Weight]

226.18
Chemical PropertiesBack Directory
[Melting point ]

179 °C
[Boiling point ]

394.7±42.0 °C(Predicted)
[density ]

1.391±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

3.10±0.10(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C10H10O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
[InChIKey]

SKBDLRWFSRLIPP-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC(OC)=C(OC)C=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

m-Hemipinic Acid is an intermediate in the synthesis of Carbazeran (C175790), a phosphodiesterase inhibitor drug that exhibits chronictropic and inotropic effects.
[Definition]

ChEBI:4,5-Dimethoxy-1,2-benzenedicarboxylic acid is a methoxybenzoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

m-Hemipinic acid(577-68-4)1HNMR
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