2-甲基氯化苄
TL;DR: 2-甲基氯化苄 (CAS 552-45-4) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基氯化苄
1-(chloromethyl)-2-methylbenzene
Also Known As: 2-Methylbenzyl chloride, 1-(Chloromethyl)-2-methylbenzene, o-Xylyl chloride, o-Methylbenzyl chloride, ALPHA-CHLORO-O-XYLENE
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Boiling Point | 195-203 °C |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL |
| Flash Point | 73.9 °C |
| Refractive Index | 1.5391 @ 20 °C |
Chemical Identifiers
| CAS Number | 552-45-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CCl |
| InChIKey | VQRBXYBBGHOGFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基氯化苄 (CAS 552-45-4), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-(chloromethyl)-2-methylbenzene.
Chemical Property Profile of 2-甲基氯化苄
Property Insights of 2-甲基氯化苄
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基氯化苄. With a topological polar surface area (TPSA) of 0.0 Ų, 2-甲基氯化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基氯化苄 has 0 hydrogen bond donor(s) and 0 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-甲基氯化苄?
The CAS number of 2-甲基氯化苄 is 552-45-4.
What is the molecular formula of 2-甲基氯化苄?
The molecular formula of 2-甲基氯化苄 is C8H9Cl.
What is the molecular weight of 2-甲基氯化苄?
The molecular weight of 2-甲基氯化苄 is 140.04 g/mol.
Where can I buy 2-甲基氯化苄?
You can request a quote for 2-甲基氯化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基氯化苄?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基氯化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.