3,5-Dibromobenzoic acid

Inquiry

Molecular Formula:

C7H4Br2O2

Molecular Weight:

279.91

CAS Number:

618-58-6

Catalog Number:

618-58-6

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

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

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

279.85576 g/mol

Monoisotopic Mass

277.85780 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

151

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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