1-Chloro-4-isocyano-2-methylbenzene
TL;DR: 1-Chloro-4-isocyano-2-methylbenzene (CAS 1930-87-6) is a chemical compound with molecular formula C8H6ClN and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-isocyano-2-methylbenzene
Also Known As: 1-chloro-4-isocyano-2-methylbenzene, NIOSH/CZ0761666, 4-Chloro-3-methylphenylisocyanide, 4-Chloro-1-isocyano-3-methylbenzene, Benzene, 1-chloro-4-isocyano-2-methyl-
| Molecular Formula | C8H6ClN |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 3.19921 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.01888 |
| Heavy Atoms | 10 |
| Complexity | 285.79935 |
Chemical Identifiers
| CAS Number | 1930-87-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+]#[C-])Cl |
Product Overview
1-Chloro-4-isocyano-2-methylbenzene (CAS 1930-87-6), with molecular formula C8H6ClN and molecular weight 151.02 g/mol. IUPAC: 1-chloro-4-isocyano-2-methylbenzene.
Chemical Property Profile of 1-Chloro-4-isocyano-2-methylbenzene
Property Insights of 1-Chloro-4-isocyano-2-methylbenzene
The XLogP value of 3.19921 indicates that 1-Chloro-4-isocyano-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Chloro-4-isocyano-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-isocyano-2-methylbenzene 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 1-Chloro-4-isocyano-2-methylbenzene?
The CAS number of 1-Chloro-4-isocyano-2-methylbenzene is 1930-87-6.
What is the molecular formula of 1-Chloro-4-isocyano-2-methylbenzene?
The molecular formula of 1-Chloro-4-isocyano-2-methylbenzene is C8H6ClN.
What is the molecular weight of 1-Chloro-4-isocyano-2-methylbenzene?
The molecular weight of 1-Chloro-4-isocyano-2-methylbenzene is 151.02 g/mol.
Where can I buy 1-Chloro-4-isocyano-2-methylbenzene?
You can request a quote for 1-Chloro-4-isocyano-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-isocyano-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-isocyano-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.