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4,4'-Dichloro-2-nitrodiphenyl ether structure
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4,4'-Dichloro-2-nitrodiphenyl ether

TL;DR: 4,4'-Dichloro-2-nitrodiphenyl ether (CAS 135-12-6) is a chemical compound with molecular formula C12H7Cl2NO3 and molecular weight 282.9803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene

Also Known As: 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene, 4,4'-Dichlor-2-nitrodifenylether, 4,4'-DICHLORO-2-NITRODIPHENYL ETHER, Benzene, 4-chloro-1-(4-chlorophenoxy)-2-nitro-, 4,4'Dichlor2nitrodifenylether

CAS Number
135-12-6
Molecular Formula
C12H7Cl2NO3
Molecular Weight
282.9803 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Organic Building Blocks (19 patents) Plastic Additives (1 patents) Polymer Intermediates (29 patents)

Technical Specifications

Molecular FormulaC12H7Cl2NO3
Molecular Weight282.9803 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)55.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors3
Rotatable Bonds2
Exact Mass282.9803 Da
Heavy Atoms18
Complexity290.0
SMILESC1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl
InChIKeyXEGBVDXTOVJCSJ-UHFFFAOYSA-N

Product Description

Applications: 4,4'-Dichloro-2-nitrodiphenyl ether is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

4,4'-Dichloro-2-nitrodiphenyl ether (CAS 135-12-6) is a polymer intermediate with the molecular formula C12H7Cl2NO3 and a molecular weight of 282.98 g/mol. Synonyms include 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene and 4,4'-Dichlor-2-nitrodifenylether.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 4,4'-Dichloro-2-nitrodiphenyl ether

XLogP
4.4
TPSA (Topological Polar Surface Area)
55.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
18
Complexity
290.0
Exact Mass
282.9803
Monoisotopic Mass
282.9803
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 4,4'-Dichloro-2-nitrodiphenyl ether

The XLogP value of 4.4 indicates that 4,4'-Dichloro-2-nitrodiphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4,4'-Dichloro-2-nitrodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dichloro-2-nitrodiphenyl ether has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4,4'-Dichloro-2-nitrodiphenyl ether?

The CAS number of 4,4'-Dichloro-2-nitrodiphenyl ether is 135-12-6.

What is the molecular formula of 4,4'-Dichloro-2-nitrodiphenyl ether?

The molecular formula of 4,4'-Dichloro-2-nitrodiphenyl ether is C12H7Cl2NO3.

What is the molecular weight of 4,4'-Dichloro-2-nitrodiphenyl ether?

The molecular weight of 4,4'-Dichloro-2-nitrodiphenyl ether is 282.9803 g/mol.

What are the applications of 4,4'-Dichloro-2-nitrodiphenyl ether?

4,4'-Dichloro-2-nitrodiphenyl ether is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...

Where can I buy 4,4'-Dichloro-2-nitrodiphenyl ether?

You can request a quote for 4,4'-Dichloro-2-nitrodiphenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4,4'-Dichloro-2-nitrodiphenyl ether?

Yes, CoreyChem provides custom synthesis services for 4,4'-Dichloro-2-nitrodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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