Benzene, 4-chloro-1-methyl-2-nitro-
TL;DR: Benzene, 4-chloro-1-methyl-2-nitro- (CAS 89-59-8) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-methyl-2-nitrobenzene
Also Known As: 4-CHLORO-2-NITROTOLUENE, 4-Chloro-1-methyl-2-nitrobenzene, 2-Nitro-4-chlorotoluene, p-Chloro-o-nitrotoluene, 4,2-Chloronitrotoluene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.00871 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
Product Description
Applications: Benzene, 4-chloro-1-methyl-2-nitro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzene, 4-chloro-1-methyl-2-nitro- (CAS 89-59-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzene, 4-chloro-1-methyl-2-nitro- is a heterocyclic building block identified by CAS number 89-59-8 and the molecular formula C7H6ClNO2 and a molecular weight of 171.01 g/mol. It is also known as 4-CHLORO-2-NITROTOLUENE and 4-Chloro-1-methyl-2-nitrobenzene.
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 Benzene, 4-chloro-1-methyl-2-nitro-
Property Insights of Benzene, 4-chloro-1-methyl-2-nitro-
The XLogP value of 3.1 indicates that Benzene, 4-chloro-1-methyl-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene, 4-chloro-1-methyl-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 4-chloro-1-methyl-2-nitro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, 4-chloro-1-methyl-2-nitro-?
The CAS number of Benzene, 4-chloro-1-methyl-2-nitro- is 89-59-8.
What is the molecular formula of Benzene, 4-chloro-1-methyl-2-nitro-?
The molecular formula of Benzene, 4-chloro-1-methyl-2-nitro- is C7H6ClNO2.
What is the molecular weight of Benzene, 4-chloro-1-methyl-2-nitro-?
The molecular weight of Benzene, 4-chloro-1-methyl-2-nitro- is 171.00871 g/mol.
What are the applications of Benzene, 4-chloro-1-methyl-2-nitro-?
Benzene, 4-chloro-1-methyl-2-nitro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzene,...
Where can I buy Benzene, 4-chloro-1-methyl-2-nitro-?
You can request a quote for Benzene, 4-chloro-1-methyl-2-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 4-chloro-1-methyl-2-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzene, 4-chloro-1-methyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.