5-Bromoisatoic anhydride

Product Information

Molecular Formula:
C8H4BrNO3
Molecular Weight:
242.02
Description
5-Bromoisatoic anhydride is an intriguing chemical compound extensively employed in the biomedical industry and manifests tremendous potential in synthesizing pharmaceutical drugs and unraveling the intricate mechanisms of diverse diseases. By virtue of its distinctive structural properties and unmatched reactivity, this compound has emerged as a pivotal intermediate in the realm of pharmaceutical synthesis, presenting promising avenues for targeted therapeutics against specific maladies.
Synonyms
5-Bromoisatoic anhydride
IUPAC Name
6-bromo-1H-3,1-benzoxazine-2,4-dione
Canonical SMILES
C1=CC2=C(C=C1Br)C(=O)OC(=O)N2
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChI Key
DXSMYDSFWCOSFM-UHFFFAOYSA-N
Melting Point
280-285 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
97%(HPLC)
Density
1.826 g/cm3
Appearance
Off-white to salmon powder

Safety Information

Hazards
H312 + H332 - H315 - H319 - H335 - H360
Precautionary Statement
P201 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313

Computed Properties

XLogP3
1.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
240.93746 g/mol
Monoisotopic Mass
240.93746 g/mol
Topological Polar Surface Area
55.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
256
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
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
WO-2021253087-A1 Novel antibacterial hydrogels 2020-06-17
WO-2021226206-A2 Cannabinoid receptor type 2 (cb2) modulators and uses thereof 2020-05-05
WO-2021194908-A1 Modified dipeptide cleavases, uses thereof and related kits 2020-03-24
WO-2021105115-A1 Substituted aminoquinolones as dgkalpha inhibitors for immune activation 2019-11-28
WO-2021105117-A1 Substituted aminoquinolones as dgkalpha inhibitors for immune activation 2019-11-28
WO-2021096948-A1 Allosteric egfr inhibitors and methods of use thereof 2019-11-11
CN-110372611-B Method for selectively synthesizing polysubstituted dihydro quinazolinone or quinazolinone 2019-07-24
CN-110283192-B Preparation method and application of tryptanthrin derivative containing boric acid 2019-07-18
WO-2020263164-A1 Compounds targeting dual g-quadruplex dna and stat3 2019-06-24
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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