28684

trans-Cyclobutane-1,2-dicarboxylic acid

≥97.0% (T)

• Empirical Formula (Hill Notation): C₆H₈O₄
• CAS Number: 1124-13-6
• Molecular Weight: 144.13
• Beilstein/REAXYS Number: 3198993
• EC Number: 214-392-8
• MDL number: MFCD00068260
• UNSPSC Code: 12352100
• PubChem Substance ID: 57648319
• NACRES: NA.22

Properties

• assay: ≥97.0% (T)
• form: solid
• functional group: carboxylic acid
• SMILES string: OC(=O)[C@@H]1CC[C@H]1C(O)=O
• InChI: 1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1
• InChI key: SUSAGCZZQKACKE-QWWZWVQMSA-N

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves