TL;DR: 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene (CAS 1133-57-9) is a chemical compound with molecular formula C8H4Cl6 and molecular weight 309.84442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,5-tetrachloro-4,6-bis(chloromethyl)benzene
Also Known As: alpha,alpha',2,4,5,6-Hexachloro-m-xylene, 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene, A,A',2,4,5,6-Hexachloro-m-xylene, 8030AF, C(Cl)c1c(Cl)c(Cl)c(Cl)c(CCl)c1Cl
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H4Cl6 |
| Molecular Weight | 309.84442 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.84146 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CCl)Cl)Cl |
| InChIKey | YDNRGDROSRCQRU-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene is 1133-57-9.
The molecular formula of 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene is C8H4Cl6.
The molecular weight of 1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene is 309.84442 g/mol.
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