3,5-Dibromobenzoic acid - CAS 618-58-6
Catalog: |
BB031295 |
Product Name: |
3,5-Dibromobenzoic acid |
CAS: |
618-58-6 |
Synonyms: |
3,5-dibromobenzoic acid |
IUPAC Name: | 3,5-dibromobenzoic acid |
Description: | 3,5-Dibromobenzoic Acid acts as a reagent for the design, synthesis and hypoglycemic activity of cyclopropane-bearing C-glucoside as SGLT2 inhibitors. Also used as a reagent for the preparation of substituted piperidines as renin inhibitors for treatment of cardiovascular events and renal insufficiency. |
Molecular Weight: | 279.91 |
Molecular Formula: | C7H4Br2O2 |
Canonical SMILES: | C1=C(C=C(C=C1Br)Br)C(=O)O |
InChI: | InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
InChI Key: | SFTFNJZWZHASAQ-UHFFFAOYSA-N |
Boiling Point: | 355.2±32.0 °C (Predicted) |
Melting Point: | 218-220 °C (lit.) |
Purity: | > 97.0 % (GC) (T) |
Density: | 1.9661 (rou gh estimate) |
Appearance: | White to light yellow powder to crystal |
MDL: | MFCD00051758 |
LogP: | 2.90980 |
Refractive Index: | 1.4970 (estimate) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113413915-A | Preparation method of chiral conjugated microporous polymer supported palladium asymmetric catalyst | 20210803 |
CN-111960988-A | Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof | 20201021 |
CN-111960988-B | Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof | 20201021 |
CN-112390741-A | Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof | 20200921 |
CN-112108021-A | Preparation method of fluorine-containing alkyl conjugated microporous polymer mixed matrix membrane | 20200919 |
PMID | Publication Date | Title | Journal |
20087476 | 20091119 | Dendronized polyimides bearing long-chain alkyl groups and their application for vertically aligned nematic liquid crystal displays | International journal of molecular sciences |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.85576 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.85780 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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