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1461-94-5

1461-94-5 Structure

1461-94-5 Structure
IdentificationBack Directory
[Name]

CIS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
[CAS]

1461-94-5
[Synonyms]

RARECHEM AQ C4 0001
cis-1,2-Cyclobutanedicarboxylic acid
CIS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
(1R,2S)-1,2-Cyclobutanedicarboxylic acid
(1R,2S)-Cyclobutane-1,2-dicarboxylic acid
[1R,2S,(-)]-1,2-Cyclobutanedicarboxylic acid
(1R,2S)-rel-cyclobutane-1,2-dicarboxylic acid
1,2-Cyclobutanedicarboxylic acid, (1R,2S)-rel-
cis-Cyclobutane-1,2-dicarboxylic acid
[EINECS(EC#)]

676-366-6
[Molecular Formula]

C6H8O4
[MDL Number]

MFCD00019263
[MOL File]

1461-94-5.mol
[Molecular Weight]

144.13
Chemical PropertiesBack Directory
[Melting point ]

133-139 °C
[Boiling point ]

377.7±35.0 °C(Predicted)
[density ]

1.509±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

pK1:3.90 ;pK2:5.89 (25°C)
[BRN ]

2047669
[InChIKey]

SUSAGCZZQKACKE-ZXZARUISSA-N
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

34-36/37/38
[Safety Statements ]

26-36/37/39-45-36
[RIDADR ]

UN 3261 8/PG 3
[WGK Germany ]

3
[HS Code ]

2917200090
Hazard InformationBack Directory
[Chemical Properties]

White powder
[General Description]

The interaction of the carboxyl groups in the fragmentation of the molecular ions of cis-cyclobutane-1,2-dicarboxylic acid helps to distinguish it from trans-cyclobutane-1,2-dicarboxylic acid.
[Purification Methods]

Purify the acid by crystallisation from H2O or ligroin, or by hydrolysis of the anhydride [b 120-150o/40mm, m 77-77.5o (from *C6H6, 74-75o from H2O or ligroin)] with H2O. The diphenacyl ester has m 113o (from EtOH) and the p-bromodiphenacyl ester has m 153o (from EtOH/Me2CO). [Vogel Justus Liebigs Ann Chem 615 13 1958, Reed J Chem Soc 685 1951, Fison et al. J Am Chem Soc 56 1774 1934, pK: Bode Chem Ber 67 332 1934, Beilstein 9 IV 2788.]
Spectrum DetailBack Directory
[Spectrum Detail]

CIS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1461-94-5)1HNMR
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