2-Bromophenyl isocyanate
TL;DR: 2-Bromophenyl isocyanate (CAS 716342-80-2) is a chemical compound with molecular formula C7H4BrNO and molecular weight 196.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-isocyanatobenzene
Also Known As: 2-Bromophenyl isocyanate, 1-Bromo-2-isocyanatobenzene, 2-BROMOPHENYLISOCYANATE, 1-Bromo-3-propanol, 2-bromophenylisocynate
| Molecular Formula | C7H4BrNO |
|---|---|
| Molecular Weight | 196.95 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 | 196.94763 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 716342-80-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C=O)Br |
| InChIKey | GOOVAYJIVMBWPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromophenyl isocyanate (CAS 716342-80-2), with molecular formula C7H4BrNO and molecular weight 196.95 g/mol. IUPAC: 1-bromo-2-isocyanatobenzene.
Chemical Property Profile of 2-Bromophenyl isocyanate
Property Insights of 2-Bromophenyl isocyanate
The XLogP value of 3.4 indicates that 2-Bromophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Bromophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromophenyl isocyanate 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 2-Bromophenyl isocyanate?
The CAS number of 2-Bromophenyl isocyanate is 716342-80-2.
What is the molecular formula of 2-Bromophenyl isocyanate?
The molecular formula of 2-Bromophenyl isocyanate is C7H4BrNO.
What is the molecular weight of 2-Bromophenyl isocyanate?
The molecular weight of 2-Bromophenyl isocyanate is 196.95 g/mol.
Where can I buy 2-Bromophenyl isocyanate?
You can request a quote for 2-Bromophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.