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2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol structure
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2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol

TL;DR: 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol (CAS 13181-17-4) is a chemical compound with molecular formula C13H7Br2N3O6 and molecular weight 458.87015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,6-dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol

Also Known As: BROMOFENOXIM, Bromfenoxim, 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol, 2,6-dibromo-4-[(2,4-dinitrophenoxyimino)methyl]phenol, 3,5-dibromo-4-hydroxybenzaldehyd-2,4-dinitrophenyloxim

CAS Number
13181-17-4
Molecular Formula
C13H7Br2N3O6
Molecular Weight
458.87015 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (138 patents) Heterocyclic Building Blocks (34 patents) Organic Building Blocks (38 patents) Organometallic Reagents (5 patents) Pharmaceutical Intermediates (1 patents)

Technical Specifications

Molecular FormulaC13H7Br2N3O6
Molecular Weight458.87015 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)133.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds3
Exact Mass460.8681 Da
Heavy Atoms24
Complexity485.0
SMILESC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON=CC2=CC(=C(C(=C2)Br)O)Br
InChIKeyXTFNPKDYCLFGPV-UHFFFAOYSA-N

Chemical Property Profile of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol

XLogP
3.3
TPSA (Topological Polar Surface Area)
133.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
3
Heavy Atoms
24
Complexity
485.0
Exact Mass
460.8681
Monoisotopic Mass
458.87015
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol

The XLogP value of 3.3 indicates that 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol. Following Lipinski's Rule of Five, 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol?

The CAS number of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol is 13181-17-4.

What is the molecular formula of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol?

The molecular formula of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol is C13H7Br2N3O6.

What is the molecular weight of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol?

The molecular weight of 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol is 458.87015 g/mol.

Where can I buy 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol?

You can request a quote for 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol?

Yes, CoreyChem provides custom synthesis services for 2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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