Benzene, 1-chloro-3-isocyanato-
TL;DR: Benzene, 1-chloro-3-isocyanato- (CAS 2909-38-8) is a chemical compound with molecular formula C7H4ClNO and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-isocyanatobenzene
Also Known As: 3-CHLOROPHENYL ISOCYANATE, 1-Chloro-3-isocyanatobenzene, m-Chlorophenyl isocyanate, 3-Chlorophenylisocyanate, m-Chlorfenylisokyanat
| Molecular Formula | C7H4ClNO |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.99814 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2909-38-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N=C=O |
| InChIKey | HHIRBXHEYVDUAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-3-isocyanato- (CAS 2909-38-8), with molecular formula C7H4ClNO and molecular weight 153.00 g/mol. IUPAC: 1-chloro-3-isocyanatobenzene.
Chemical Property Profile of Benzene, 1-chloro-3-isocyanato-
Property Insights of Benzene, 1-chloro-3-isocyanato-
The XLogP value of 3.4 indicates that Benzene, 1-chloro-3-isocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Benzene, 1-chloro-3-isocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-3-isocyanato- has 0 hydrogen bond donor(s) and 2 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 Benzene, 1-chloro-3-isocyanato-?
The CAS number of Benzene, 1-chloro-3-isocyanato- is 2909-38-8.
What is the molecular formula of Benzene, 1-chloro-3-isocyanato-?
The molecular formula of Benzene, 1-chloro-3-isocyanato- is C7H4ClNO.
What is the molecular weight of Benzene, 1-chloro-3-isocyanato-?
The molecular weight of Benzene, 1-chloro-3-isocyanato- is 153.00 g/mol.
Where can I buy Benzene, 1-chloro-3-isocyanato-?
You can request a quote for Benzene, 1-chloro-3-isocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-3-isocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-3-isocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.