4-Bromo-3,5-dihydroxybenzoic Acid

Product Information

Molecular Formula:
C7H5BrO4
Molecular Weight:
233.02
Description
Fundamental chemical building block for organic synthesis.
Synonyms
4-bromo-3,5-dihydroxybenzoic acid; 4-bromo-3,5-dihydroxybenzoic acid
IUPAC Name
4-bromo-3,5-dihydroxybenzoic acid
Canonical SMILES
C1=C(C=C(C(=C1O)Br)O)C(=O)O
InChI
InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)
InChI Key
NUTRHYYFCDEALP-UHFFFAOYSA-N
Boiling Point
387.1 °C at 760 mmHg
Melting Point
274-276 °C (lit.)
Flash Point
Not applicable
Purity
99 %
Density
2.026 g/cm3
LogP
1.55850

Safety Information

Hazards
H315 - H319 - H335
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
1.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
231.93712 g/mol
Monoisotopic Mass
231.93712 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
172
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-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 2021-10-09
CN-112321416-A Method for synthesizing bromocriptine intermediate 4-bromo-3, 5-dimethoxybenzoic acid 2020-11-09
US-11267788-B2 Isoquinoline compounds and their use in treating AhR imbalance 2020-07-16
US-2022017468-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE 2020-07-16
WO-2022015423-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE 2020-07-16
CN-112973448-A Composite reverse osmosis membrane with chlorine resistance body, preparation method and application thereof 2019-12-12
CN-112973449-A Polyester composite reverse osmosis membrane with chlorine resistance and preparation method and application thereof 2019-12-12
WO-2021119554-A1 Compositions and methods for potentiating immune activity 2019-12-12
WO-2021113368-A1 Sstr5 antagonists 2019-12-03
JP-2021028358-A Adhesives and adhesive sheets 2019-08-09

Literatures

PMID Publication Date Title Journal
16250059 2006-02-08 A competitive molecular recognition study: syntheses and analysis of supramolecular assemblies of 3,5-dihydroxybenzoic acid and its bromo derivative with some N-donor compounds Chemistry (Weinheim an der Bergstrasse, Germany)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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