2-氯苯甲醛
TL;DR: 2-氯苯甲醛 (CAS 89-98-5) is a chemical compound with molecular formula C7H5ClO and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯苯甲醛
2-chlorobenzaldehyde
Also Known As: 2-Chlorobenzaldehyde, O-CHLOROBENZALDEHYDE, Chlorobenzaldehyde, 2-Chlorbenzaldehyd, 2-Clorobenzaldeide
| Molecular Formula | C7H5ClO |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0029 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Melting Point | 12.4 °C |
| Boiling Point | 211.9 °C at 760 mmHg |
| Density | 1.248 at 20.0 °C |
| Solubility | 1 to 5 mg/mL at 75 °F (NTP, 1992) |
| Flash Point | 87.8 °C |
| Vapor Pressure | 2.2 mmHg at 50.0 °C |
| Refractive Index | 1.5662 at 20 °C |
Chemical Identifiers
| CAS Number | 89-98-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)Cl |
| InChIKey | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯苯甲醛 (CAS 89-98-5), with molecular formula C7H5ClO and molecular weight 140.00 g/mol. IUPAC: 2-chlorobenzaldehyde.
Chemical Property Profile of 2-氯苯甲醛
Property Insights of 2-氯苯甲醛
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯苯甲醛 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
Frequently Asked Questions
What is the CAS number of 2-氯苯甲醛?
The CAS number of 2-氯苯甲醛 is 89-98-5.
What is the molecular formula of 2-氯苯甲醛?
The molecular formula of 2-氯苯甲醛 is C7H5ClO.
What is the molecular weight of 2-氯苯甲醛?
The molecular weight of 2-氯苯甲醛 is 140.00 g/mol.
Where can I buy 2-氯苯甲醛?
You can request a quote for 2-氯苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2-氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.