ChemicalBook--->CAS DataBase List--->1124-13-6

1124-13-6

1124-13-6 Structure

1124-13-6 Structure
IdentificationBack Directory
[Name]

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

1124-13-6
[Synonyms]

usafst-3
USAF st-3
NSC 527264
RARECHEM AL BO 2332
SPECS AB-131/40227215
1,2-Cyclobutanedicarboxylic acid
(e)-2-cyclobutanedicarboxylicacid
TRANS-1,2-CYCLOBUTANEDICARBOXYLIC ACID
1,2-Cyclobutanedicarboxylic acid, (E)-
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
rel-1α*,2β*-Cyclobutanedicarboxylic acid
1,2-Cyclobutanedicarboxylic acid, trans-
(1R,2R)-Cyclobutane-1,2-dicarboxylic acid
(1R,2R)(1S,2S)-Cyclobutane-1,2-dicarboxylic acid
trans-Cyclobutane-1,2-dicarboxylic acid (racemic)
trans-Cyclobutane-1,2-dicarboxylic acid
[EINECS(EC#)]

214-392-8
[Molecular Formula]

C6H8O4
[MDL Number]

MFCD00068260
[MOL File]

1124-13-6.mol
[Molecular Weight]

144.13
Chemical PropertiesBack Directory
[Melting point ]

125-131 °C
[Boiling point ]

140 °C(Press: 2 Torr)
[density ]

1.509±0.06 g/cm3(Predicted)
[refractive index ]

1.4556 (589.3 nm 25℃)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

pK1:3.79 ;pK2:5.61 (25°C)
[BRN ]

3198993
[InChIKey]

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

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[RTECS ]

GU1680000
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1124-13-6)MS
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1124-13-6)1HNMR
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1124-13-6)13CNMR
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1124-13-6)IR1
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID(1124-13-6)IR2
Hazard InformationBack Directory
[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]

Crystallise the acid from *C6H6 or *C6H6/EtOAc. The diphenacyl ester has m 98o (from EtOH) and the p-bromodiphenacyl ester has m 158o (from EtOH). The cis-acid isomerizes to the trans-acid on heating in conc HCl at 190o. [Reed J Chem Soc 685 1951, Fison et al. J Am Chem Soc 51 1536 1929, Fison et al. J Am Chem Soc 56 1774 1934, pK: Bode Chem Ber 67 332 1934, Beilstein 9 IV 2788.]
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