3-Chlorotoluene
TL;DR: 3-Chlorotoluene (CAS 108-41-8) is a chemical compound with molecular formula C7H7Cl and molecular weight 126.02363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-methylbenzene
Also Known As: 3-Chlorotoluene, 1-Chloro-3-methylbenzene, M-CHLOROTOLUENE, m-Tolyl chloride, Toluene, m-chloro-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7Cl |
| Molecular Weight | 126.02363 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02363 Da |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -54 °F (NTP, 1992) |
| Boiling Point | 324 °F at 760 mmHg (NTP, 1992) |
| Density | 1.0722 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 126 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 109.8 °F (NTP, 1992) |
| SMILES | CC1=CC(=CC=C1)Cl |
| InChIKey | OSOUNOBYRMOXQQ-UHFFFAOYSA-N |
Product Description
Applications: 3-Chlorotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Chlorotoluene (CAS 108-41-8) is a heterocyclic building block with the molecular formula C7H7Cl and a molecular weight of 126.02 g/mol. Key physical properties include a density of 1.0722 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³. Synonyms include 3-Chlorotoluene and 1-Chloro-3-methylbenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Chlorotoluene
Property Insights of 3-Chlorotoluene
The XLogP value of 3.3 indicates that 3-Chlorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorotoluene 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
What is the CAS number of 3-Chlorotoluene?
The CAS number of 3-Chlorotoluene is 108-41-8.
What is the molecular formula of 3-Chlorotoluene?
The molecular formula of 3-Chlorotoluene is C7H7Cl.
What is the molecular weight of 3-Chlorotoluene?
The molecular weight of 3-Chlorotoluene is 126.02363 g/mol.
What are the applications of 3-Chlorotoluene?
3-Chlorotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Chlorotoluene?
You can request a quote for 3-Chlorotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chlorotoluene?
Yes, CoreyChem provides custom synthesis services for 3-Chlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.