3,4-二氯苯甲醛
TL;DR: 3,4-二氯苯甲醛 (CAS 6287-38-3) is a chemical compound with molecular formula C7H4Cl2O and molecular weight 173.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯苯甲醛
3,4-dichlorobenzaldehyde
Also Known As: 3,4-DICHLOROBENZALDEHYDE, Benzaldehyde, 3,4-dichloro-, null, Ixazomib Impurity 14, 3,4-dichlorobenzaldehye
| Molecular Formula | C7H4Cl2O |
|---|---|
| Molecular Weight | 173.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.96391 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Melting Point | 106 to 43.9 °C |
| Boiling Point | 477 to 247.8 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
Chemical Identifiers
| CAS Number | 6287-38-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| InChIKey | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苯甲醛 (CAS 6287-38-3), with molecular formula C7H4Cl2O and molecular weight 173.96 g/mol. IUPAC: 3,4-dichlorobenzaldehyde.
Chemical Property Profile of 3,4-二氯苯甲醛
Property Insights of 3,4-二氯苯甲醛
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-二氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苯甲醛 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 3,4-二氯苯甲醛?
The CAS number of 3,4-二氯苯甲醛 is 6287-38-3.
What is the molecular formula of 3,4-二氯苯甲醛?
The molecular formula of 3,4-二氯苯甲醛 is C7H4Cl2O.
What is the molecular weight of 3,4-二氯苯甲醛?
The molecular weight of 3,4-二氯苯甲醛 is 173.96 g/mol.
Where can I buy 3,4-二氯苯甲醛?
You can request a quote for 3,4-二氯苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.