TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
- CAS NO.：1124-13-6
- Empirical Formula: C6H8O4
- Molecular Weight: 144.13
- MDL number: MFCD00068260
- EINECS: 214-392-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-10 19:42:27
What is 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
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.]
Properties of TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
| 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. | 2-8°C |
| pka | pK1:3.79 ;pK2:5.61 (25°C) |
| BRN | 3198993 |
Safety information for TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
| InChIKey | SUSAGCZZQKACKE-QWWZWVQMSA-N |
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID manufacturer
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Innovassynth Technologies (I) Ltd.
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product: trans-Cyclobutane-1, 2-DCA 99%
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