Phenyl chloroformate
TL;DR: Phenyl chloroformate (CAS 1885-14-9) is a chemical compound with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl carbonochloridate
Also Known As: PHENYL CHLOROFORMATE, phenyl carbonochloridate, Phenyl chlorocarbonate, Chloroformic acid phenyl ester, Phenoxycarbonyl chloride
| Molecular Formula | C7H5ClO2 |
|---|---|
| Molecular Weight | 156.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.9978 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
| Melting Point | -28 °C |
| Boiling Point | 188-189 °C |
| Density | Density (at 20 °C): 1.2 g/cm³ |
| Solubility | Solubility in water: reaction |
| Flash Point | 69 °C c.c. |
| Vapor Pressure | 0.67 [mmHg] |
Chemical Identifiers
| CAS Number | 1885-14-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)Cl |
| InChIKey | AHWALFGBDFAJAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl chloroformate (CAS 1885-14-9), with molecular formula C7H5ClO2 and molecular weight 156.00 g/mol. IUPAC: phenyl carbonochloridate.
Chemical Property Profile of Phenyl chloroformate
Property Insights of Phenyl chloroformate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl chloroformate 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 Phenyl chloroformate?
The CAS number of Phenyl chloroformate is 1885-14-9.
What is the molecular formula of Phenyl chloroformate?
The molecular formula of Phenyl chloroformate is C7H5ClO2.
What is the molecular weight of Phenyl chloroformate?
The molecular weight of Phenyl chloroformate is 156.00 g/mol.
Where can I buy Phenyl chloroformate?
You can request a quote for Phenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.