Benzotrichloride
TL;DR: Benzotrichloride (CAS 98-07-7) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.94568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trichloromethylbenzene
Also Known As: BENZOTRICHLORIDE, (Trichloromethyl)benzene, Trichloromethylbenzene, Phenylchloroform, Toluene trichloride
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 193.94568 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.94568 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | 23 °F (EPA, 1998) |
| Boiling Point | 429.4 °F at 760 mmHg (EPA, 1998) |
| Density | 1.3756 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 260 °F (EPA, 1998) |
| Vapor Pressure | 1 to 10 mmHg at 114.44 to 189.68 °F (EPA, 1998) |
| Refractive Index | INDEX OF REFRACTION: 1.55789 AT 20 °C/D |
| Solubility | Decomposes (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C(Cl)(Cl)Cl |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
Product Description
Applications: Benzotrichloride is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Benzotrichloride is a organic building block identified by CAS number 98-07-7 and the molecular formula C7H5Cl3 and a molecular weight of 193.95 g/mol. Physically, the compound has a density of 1.3756 at 68 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: Decomposes (NTP, 1992). Synonyms include BENZOTRICHLORIDE and (Trichloromethyl)benzene.
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 Benzotrichloride
Property Insights of Benzotrichloride
The XLogP value of 3.7 indicates that Benzotrichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzotrichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotrichloride 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 Benzotrichloride?
The CAS number of Benzotrichloride is 98-07-7.
What is the molecular formula of Benzotrichloride?
The molecular formula of Benzotrichloride is C7H5Cl3.
What is the molecular weight of Benzotrichloride?
The molecular weight of Benzotrichloride is 193.94568 g/mol.
What are the applications of Benzotrichloride?
Benzotrichloride is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Benzotrichloride?
You can request a quote for Benzotrichloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzotrichloride?
Yes, CoreyChem provides custom synthesis services for Benzotrichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.