3,5-Dibromobenzoic acid
Product Information
Molecular Formula
C7H4Br2O2
Molecular Weight
279.91
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.
Synonyms
3,5-dibromobenzoic acid
IUPAC Name
3,5-dibromobenzoic acid
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
Refractive Index
1.4970 (estimate)
LogP
2.90980
Safety Information
Hazards
H315 H319
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
Computed Properties
XLogP3
3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
279.85576 g/mol
Monoisotopic Mass
277.85780 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
151
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113413915-A | Preparation method of chiral conjugated microporous polymer supported palladium asymmetric catalyst | 2021-08-03 |
| CN-111960988-A | Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof | 2020-10-21 |
| CN-111960988-B | Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof | 2020-10-21 |
| CN-112390741-A | Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof | 2020-09-21 |
| CN-112108021-A | Preparation method of fluorine-containing alkyl conjugated microporous polymer mixed matrix membrane | 2020-09-19 |
| CN-111545249-A | Preparation method of conjugated microporous polymer/palladium-nickel bimetallic catalyst | 2020-04-27 |
| WO-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 2020-02-18 |
| WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 2019-12-12 |
| WO-2021105091-A1 | Novel heteroaryl-triazole compounds as pesticides | 2019-11-25 |
| TW-202136248-A | Novel heteroaryl-triazole compounds as pesticides | 2019-11-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20087476 | 2009-11-19 | Dendronized polyimides bearing long-chain alkyl groups and their application for vertically aligned nematic liquid crystal displays | International journal of molecular sciences |
