2-Nitrobiphenyl
TL;DR: 2-Nitrobiphenyl (CAS 86-00-0) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-2-phenylbenzene
Also Known As: 2-Nitrobiphenyl, 2-Nitrodiphenyl, o-Nitrodiphenyl, 2-Nitro-1,1'-biphenyl, O-NITROBIPHENYL
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.06332 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 Da |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
| Melting Point | 97 to 100 °F (NTP, 1992) |
| Boiling Point | 608 °F at 760 mmHg (NTP, 1992) |
| Density | 1.203 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 290 °F (NTP, 1992) |
| Vapor Pressure | 2 mmHg at 284 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | YOJKKXRJMXIKSR-UHFFFAOYSA-N |
Product Description
Applications: 2-Nitrobiphenyl 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 2-Nitrobiphenyl (CAS 86-00-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 2-Nitrobiphenyl (CAS 86-00-0) has the molecular formula C12H9NO2 and a molecular weight of 199.06 g/mol. Reported properties include a density of 1.203 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as 2-Nitrobiphenyl and 2-Nitrodiphenyl.
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 2-Nitrobiphenyl
Property Insights of 2-Nitrobiphenyl
The XLogP value of 3.7 indicates that 2-Nitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitrobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrobiphenyl 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 2-Nitrobiphenyl?
The CAS number of 2-Nitrobiphenyl is 86-00-0.
What is the molecular formula of 2-Nitrobiphenyl?
The molecular formula of 2-Nitrobiphenyl is C12H9NO2.
What is the molecular weight of 2-Nitrobiphenyl?
The molecular weight of 2-Nitrobiphenyl is 199.06332 g/mol.
What are the applications of 2-Nitrobiphenyl?
2-Nitrobiphenyl 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 2-Nitrobiphenyl...
Where can I buy 2-Nitrobiphenyl?
You can request a quote for 2-Nitrobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrobiphenyl?
Yes, CoreyChem provides custom synthesis services for 2-Nitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.