3,4-Dichlorophenyltrichloromethane
TL;DR: 3,4-Dichlorophenyltrichloromethane (CAS 13014-24-9) is a chemical compound with molecular formula C7H3Cl5 and molecular weight 261.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(trichloromethyl)benzene
Also Known As: 3,4-Dichlorobenzotrichloride, 1,2-Dichloro-4-(trichloromethyl)benzene, 3,4-Dichlorophenyltrichloromethane, Benzene, 1,2-dichloro-4-(trichloromethyl)-, 3,4-Dichlorotrichloromethylbenzene
| Molecular Formula | C7H3Cl5 |
|---|---|
| Molecular Weight | 261.87 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.86478 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| Melting Point | 25.8 °C |
| Boiling Point | 283.1 °C at 760 mmHg |
| Density | 1.591 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 2 mmHg at 25.0 °C ; 7 mmHg at 50.0 °C; 12 mmHg at 70.0 °C |
Chemical Identifiers
| CAS Number | 13014-24-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)Cl |
| InChIKey | ATYLRBXENHNROH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorophenyltrichloromethane (CAS 13014-24-9), with molecular formula C7H3Cl5 and molecular weight 261.87 g/mol. IUPAC: 1,2-dichloro-4-(trichloromethyl)benzene.
Chemical Property Profile of 3,4-Dichlorophenyltrichloromethane
Property Insights of 3,4-Dichlorophenyltrichloromethane
The XLogP value of 5.3 indicates that 3,4-Dichlorophenyltrichloromethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dichlorophenyltrichloromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenyltrichloromethane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dichlorophenyltrichloromethane?
The CAS number of 3,4-Dichlorophenyltrichloromethane is 13014-24-9.
What is the molecular formula of 3,4-Dichlorophenyltrichloromethane?
The molecular formula of 3,4-Dichlorophenyltrichloromethane is C7H3Cl5.
What is the molecular weight of 3,4-Dichlorophenyltrichloromethane?
The molecular weight of 3,4-Dichlorophenyltrichloromethane is 261.87 g/mol.
Where can I buy 3,4-Dichlorophenyltrichloromethane?
You can request a quote for 3,4-Dichlorophenyltrichloromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenyltrichloromethane?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenyltrichloromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.