Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- structure

Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-

TL;DR: Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- (CAS 63134-22-5) is a chemical compound with molecular formula C23H28ClNO4 and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoyl chloride

Also Known As: 2-(2,4-Di-tert-pentylphenoxy)-5-nitrobenzoyl chloride, 2-[2,4-bis phenoxy]-5-nitro-benzoylchlorid, Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoyl chloride, Benzoyl chloride, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-

CAS: 63134-22-5
Molecular Formula C23H28ClNO4
Molecular Weight 417.17 g/mol
LogP 8.2
Topological Polar Surface Area 72.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 417.1707
Heavy Atoms 29
Complexity 586.0

Chemical Identifiers

CAS Number 63134-22-5
SMILES CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)Cl)C(C)(C)CC
InChIKey UNNQMDKLFWFUES-UHFFFAOYSA-N

Product Overview

Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- (CAS 63134-22-5), with molecular formula C23H28ClNO4 and molecular weight 417.17 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzoyl chloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

Chemical Property Profile of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-

XLogP
8.2
TPSA (Topological Polar Surface Area)
72.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
29
Complexity
586.0
Exact Mass
417.1707
Monoisotopic Mass
417.1707
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 Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-

The XLogP value of 8.2 indicates that Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-. Following Lipinski's Rule of Five, Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-?

The CAS number of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- is 63134-22-5.

What is the molecular formula of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-?

The molecular formula of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- is C23H28ClNO4.

What is the molecular weight of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-?

The molecular weight of Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- is 417.17 g/mol.

Where can I buy Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-?

You can request a quote for Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro-?

Yes, KEHONG BIO provides custom synthesis services for Benzoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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