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
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) |
