Benzene, 1,3-dichloro-5-nitro-
TL;DR: Benzene, 1,3-dichloro-5-nitro- (CAS 618-62-2) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-5-nitrobenzene
Also Known As: 3,5-Dichloronitrobenzene, 1,3-Dichloro-5-nitrobenzene, Benzene, 1,3-dichloro-5-nitro-, m-Dichloronitrobenzene, meta-Dichloronitrobenzene
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.95409 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Melting Point | 64.5 °C |
| Density | Relative density (water = 1): 1.7 |
| Solubility | Solubility in water: none |
| Flash Point | 140 °C |
Chemical Identifiers
| CAS Number | 618-62-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] |
| InChIKey | RNABGKOKSBUFHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-dichloro-5-nitro- (CAS 618-62-2), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 1,3-dichloro-5-nitrobenzene.
Chemical Property Profile of Benzene, 1,3-dichloro-5-nitro-
Property Insights of Benzene, 1,3-dichloro-5-nitro-
The XLogP value of 3.1 indicates that Benzene, 1,3-dichloro-5-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, 1,3-dichloro-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dichloro-5-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, 1,3-dichloro-5-nitro-?
The CAS number of Benzene, 1,3-dichloro-5-nitro- is 618-62-2.
What is the molecular formula of Benzene, 1,3-dichloro-5-nitro-?
The molecular formula of Benzene, 1,3-dichloro-5-nitro- is C6H3Cl2NO2.
What is the molecular weight of Benzene, 1,3-dichloro-5-nitro-?
The molecular weight of Benzene, 1,3-dichloro-5-nitro- is 190.95 g/mol.
Where can I buy Benzene, 1,3-dichloro-5-nitro-?
You can request a quote for Benzene, 1,3-dichloro-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dichloro-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dichloro-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.