1. Primary Information
| English name: | Bromodichloroacetic acid |
| CAS No.: | 71133-14-7 |
| Molecular formula: | C2HBRCl2O2 |
| Molecular weight: | 207.83 g/mol |
| SMILES: | C(=O)(C(Cl)(Cl)Br)O |
| Structural class: | |
| Other identifiers: |
bromodichloroacetate bromodichloroacetic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 100ug/ml | 696 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-bromo-2,2-dichloroacetic acid
4.2 InChI
InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
4.3 InChIKey
XSWVFEQKZFUULO-UHFFFAOYSA-N
4.4 Canonical SMILES
C(=O)(C(Cl)(Cl)Br)O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
