| Identification | Back 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 Properties | Back 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 | [form ]
solid | [pka]
pK1:3.90 ;pK2:5.89 (25°C) | [Appearance]
White to off-white Solid | [BRN ]
2047669 | [InChI]
InChI=1/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+ | [InChIKey]
SUSAGCZZQKACKE-ZXZARUISSA-N | [SMILES]
[C@@H]1(C(O)=O)CC[C@@H]1C(O)=O |&1:0,6,r| |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
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. | [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.] |
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