2-Methylbiphenyl
TL;DR: 2-Methylbiphenyl (CAS 643-58-3) is a chemical compound with molecular formula C13H12 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-phenylbenzene
Also Known As: 2-METHYLBIPHENYL, 2-Phenyltoluene, 2-Methyl-1,1'-biphenyl, o-Methylbiphenyl, 1-Methyl-2-phenylbenzene
| Molecular Formula | C13H12 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0939 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| Melting Point | Melting point: 2-methyl: -0.2 °C; 3-methyl: 4.5 °C; 4-methyl: 49-50 °C. |
| Boiling Point | 255.3 °C |
| Density | Sure Sol-170 boiling: 254-266 °C; vapor density: >5.0; specific gravity 1.000. /Sure Sol-170 contains 55% methylbiphenyls, 14% biphenyl, 31% other C12+ aromatic hydrocarbons by weight/ |
| Solubility | Insoluble in water. |
| Flash Point | Sure Sol-170: 82.2 °C closed cup Sure Sol-175: 79.4 °C closed cup /Sure sol-170: 38% methylbiphenyls, 25% biphenyl, 37% dimethyl naphthalenes; sure sol-175 55% methylbiphenyls, 14% biphenyl, and 31% other C12+ aromatic hydrocarbons/ |
| Vapor Pressure | 0.3 [mmHg] |
Chemical Identifiers
| CAS Number | 643-58-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=CC=CC=C2 |
| InChIKey | ALLIZEAXNXSFGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbiphenyl (CAS 643-58-3), with molecular formula C13H12 and molecular weight 168.09 g/mol. IUPAC: 1-methyl-2-phenylbenzene.
Chemical Property Profile of 2-Methylbiphenyl
Property Insights of 2-Methylbiphenyl
The XLogP value of 3.9 indicates that 2-Methylbiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylbiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbiphenyl has 0 hydrogen bond donor(s) and 0 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 2-Methylbiphenyl?
The CAS number of 2-Methylbiphenyl is 643-58-3.
What is the molecular formula of 2-Methylbiphenyl?
The molecular formula of 2-Methylbiphenyl is C13H12.
What is the molecular weight of 2-Methylbiphenyl?
The molecular weight of 2-Methylbiphenyl is 168.09 g/mol.
Where can I buy 2-Methylbiphenyl?
You can request a quote for 2-Methylbiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.