Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-
TL;DR: Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- (CAS 81686-42-2) is a chemical compound with molecular formula C10H11Cl3 and molecular weight 235.99263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,4-trichloro-2-methyl-5-propan-2-ylbenzene
Also Known As: 2,3,6-Trichloro-p-cymene, Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-, 2,3,6-Trichloro-4-isopropyltoluene, 1,3,4-trichloro-2-methyl-5-propan-2-ylbenzene, 1,3,4-trichloro-2-methyl-5-(propan-2-yl)benzene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11Cl3 |
| Molecular Weight | 235.99263 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.99263 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | CC1=C(C=C(C(=C1Cl)Cl)C(C)C)Cl |
| InChIKey | CDLDTGHBNBRCCA-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-
Property Insights of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-
The XLogP value of 5.3 indicates that Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-?
The CAS number of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- is 81686-42-2.
What is the molecular formula of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-?
The molecular formula of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- is C10H11Cl3.
What is the molecular weight of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-?
The molecular weight of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- is 235.99263 g/mol.
Where can I buy Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-?
You can request a quote for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.