3-Chloro-4-methylphenylisocyanide
TL;DR: 3-Chloro-4-methylphenylisocyanide (CAS 112675-35-1) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.01888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-isocyano-1-methylbenzene
Also Known As: 3-Chloro-4-methylphenylisocyanide, 2-chloro-4-isocyano-1-methylbenzene, 3-chloro-4-methylphenyl isocyanide, 2-chloro-4-isocyano-1-methyl-benzene, Benzene,2-chloro-4-isocyano-1-methyl-
Technical Specifications
| Molecular Formula | C8H6ClN |
| Molecular Weight | 151.01888 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.01888 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | CC1=C(C=C(C=C1)[N+]#[C-])Cl |
| InChIKey | WCFCRNJQFXKQSQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-methylphenylisocyanide
Property Insights of 3-Chloro-4-methylphenylisocyanide
The XLogP value of 3.3 indicates that 3-Chloro-4-methylphenylisocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 3-Chloro-4-methylphenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylphenylisocyanide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-methylphenylisocyanide?
The CAS number of 3-Chloro-4-methylphenylisocyanide is 112675-35-1.
What is the molecular formula of 3-Chloro-4-methylphenylisocyanide?
The molecular formula of 3-Chloro-4-methylphenylisocyanide is C8H6ClN.
What is the molecular weight of 3-Chloro-4-methylphenylisocyanide?
The molecular weight of 3-Chloro-4-methylphenylisocyanide is 151.01888 g/mol.
Where can I buy 3-Chloro-4-methylphenylisocyanide?
You can request a quote for 3-Chloro-4-methylphenylisocyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-methylphenylisocyanide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-methylphenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.