2-氯丙烯酸甲酯
TL;DR: 2-氯丙烯酸甲酯 (CAS 80-63-7) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯丙烯酸甲酯
methyl 2-chloroprop-2-enoate
Also Known As: METHYL 2-CHLOROACRYLATE, Methyl alpha-chloroacrylate, methyl 2-chloroprop-2-enoate, methyl ester, Methyl-2-chloroacrylate
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
| Boiling Point | 52.2 °C at 51 mmHg |
| Density | 1.189 at 20.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 29.0 [mmHg] |
| Refractive Index | 1.4420 @ 20 °C |
Chemical Identifiers
| CAS Number | 80-63-7 |
|---|---|
| SMILES | COC(=O)C(=C)Cl |
| InChIKey | AWJZTPWDQYFQPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯丙烯酸甲酯 (CAS 80-63-7), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: methyl 2-chloroprop-2-enoate.
Chemical Property Profile of 2-氯丙烯酸甲酯
Property Insights of 2-氯丙烯酸甲酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯丙烯酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-氯丙烯酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯丙烯酸甲酯 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-氯丙烯酸甲酯?
The CAS number of 2-氯丙烯酸甲酯 is 80-63-7.
What is the molecular formula of 2-氯丙烯酸甲酯?
The molecular formula of 2-氯丙烯酸甲酯 is C4H5ClO2.
What is the molecular weight of 2-氯丙烯酸甲酯?
The molecular weight of 2-氯丙烯酸甲酯 is 120.00 g/mol.
Where can I buy 2-氯丙烯酸甲酯?
You can request a quote for 2-氯丙烯酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯丙烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯丙烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.