2,3-Dibromopropionic acid - CAS 600-05-5
Catalog: |
BB030574 |
Product Name: |
2,3-Dibromopropionic acid |
CAS: |
600-05-5 |
Synonyms: |
2,3-dibromopropanoic acid |
IUPAC Name: | 2,3-dibromopropanoic acid |
Description: | 2,3-Dibromopropanoic Acid can be used in the preparation of vinyldihydrotetrazolone derivatives and analogs for use as NrF2 activators. |
Molecular Weight: | 231.87 |
Molecular Formula: | C3H4Br2O2 |
Canonical SMILES: | C(C(C(=O)O)Br)Br |
InChI: | InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7) |
InChI Key: | ZMYAKSMZTVWUJB-UHFFFAOYSA-N |
Boiling Point: | 160 °C (20 mmHg) |
Melting Point: | 63-66 °C |
Purity: | Techincal grade |
Density: | 2.332 g/cm3 |
Appearance: | White to beige-grey crystalline powder or chunks |
Storage: | 2-8 °C |
MDL: | MFCD00004212 |
LogP: | 1.22940 |
GHS Hazard Statement: | H314 (93.18%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21581176 | 20081120 | Octa-n-butyl-1κC,2κC,3κ,4κC-bis-(μ-2,3-dibromo-propionato)-1:2κO:O',3:4κO:O'-bis-(2,3-dibromo-propionato)-1κO,3κO-di-μ(3)-oxido-1:2:4κO:O:O,2:3:4κO:O:O-tetra-tin(IV) | Acta crystallographica. Section E, Structure reports online |
15366045 | 20041001 | NMR quantum computing: applying theoretical methods to designing enhanced systems | Magnetic resonance in chemistry : MRC |
Complexity: | 73.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.85576 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.85780 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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