Benzene, 1-chloro-2-methyl-4-nitro-
TL;DR: Benzene, 1-chloro-2-methyl-4-nitro- (CAS 13290-74-9) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methyl-4-nitrobenzene
Also Known As: 2-Chloro-5-nitrotoluene, 1-Chloro-2-methyl-4-nitrobenzene, ceramide, Benzene, 1-chloro-2-methyl-4-nitro-, 3-Nitro-6-chlorotoluene
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 13290-74-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | BGDCQZFFNFXYQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-2-methyl-4-nitro- (CAS 13290-74-9), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: 1-chloro-2-methyl-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-chloro-2-methyl-4-nitro-
Property Insights of Benzene, 1-chloro-2-methyl-4-nitro-
The XLogP value of 3.3 indicates that Benzene, 1-chloro-2-methyl-4-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, 1-chloro-2-methyl-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-2-methyl-4-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
Frequently Asked Questions
What is the CAS number of Benzene, 1-chloro-2-methyl-4-nitro-?
The CAS number of Benzene, 1-chloro-2-methyl-4-nitro- is 13290-74-9.
What is the molecular formula of Benzene, 1-chloro-2-methyl-4-nitro-?
The molecular formula of Benzene, 1-chloro-2-methyl-4-nitro- is C7H6ClNO2.
What is the molecular weight of Benzene, 1-chloro-2-methyl-4-nitro-?
The molecular weight of Benzene, 1-chloro-2-methyl-4-nitro- is 171.01 g/mol.
Where can I buy Benzene, 1-chloro-2-methyl-4-nitro-?
You can request a quote for Benzene, 1-chloro-2-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-2-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-2-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.