1,2-Dichloro-4-nitrobenzene
TL;DR: 1,2-Dichloro-4-nitrobenzene (CAS 99-54-7) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-4-nitrobenzene
Also Known As: 1,2-Dichloro-4-nitrobenzene, 3,4-DICHLORONITROBENZENE, DCNB, 1-Nitro-3,4-dichlorobenzene, Benzene, 1,2-dichloro-4-nitro-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3Cl2NO2 |
| Molecular Weight | 190.95409 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 | 190.95409 Da |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| Melting Point | 109 °F (NTP, 1992) |
| Boiling Point | 491 to 493 °F at 760 mmHg (NTP, 1992) |
| Density | 1.4558 at 167 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 255 °F (NTP, 1992) |
| Vapor Pressure | 0.01 [mmHg] |
| Solubility | less than 0.1 mg/mL at 74.3 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| InChIKey | NTBYINQTYWZXLH-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Dichloro-4-nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2-Dichloro-4-nitrobenzene (CAS 99-54-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,2-Dichloro-4-nitrobenzene is a organic building block identified by CAS number 99-54-7 and the molecular formula C6H3Cl2NO2 and a molecular weight of 190.95 g/mol. Physically, the compound has a density of 1.4558 at 167 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 74.3 °F (NTP, 1992). It is also known as 1,2-Dichloro-4-nitrobenzene and 3,4-DICHLORONITROBENZENE.
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 1,2-Dichloro-4-nitrobenzene
Property Insights of 1,2-Dichloro-4-nitrobenzene
The XLogP value of 3.1 indicates that 1,2-Dichloro-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Dichloro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-nitrobenzene 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 1,2-Dichloro-4-nitrobenzene?
The CAS number of 1,2-Dichloro-4-nitrobenzene is 99-54-7.
What is the molecular formula of 1,2-Dichloro-4-nitrobenzene?
The molecular formula of 1,2-Dichloro-4-nitrobenzene is C6H3Cl2NO2.
What is the molecular weight of 1,2-Dichloro-4-nitrobenzene?
The molecular weight of 1,2-Dichloro-4-nitrobenzene is 190.95409 g/mol.
What are the applications of 1,2-Dichloro-4-nitrobenzene?
1,2-Dichloro-4-nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1,2-Dichloro-4-nitrobenzene?
You can request a quote for 1,2-Dichloro-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dichloro-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Dichloro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.