Benzene, (1,3,3-trichloro-2-propenyl)-
TL;DR: Benzene, (1,3,3-trichloro-2-propenyl)- (CAS 62098-05-9) is a chemical compound with molecular formula C9H7Cl3 and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trichloroprop-2-enylbenzene
Also Known As: 1,3,3-trichloroprop-2-enylbenzene, Benzene, (1,3,3-trichloro-2-propenyl)-, (1,3,3-Trichloro-2-propenyl)benzene, (1,3,3-Trichloro-2-propenyl)benzene #, (1,3,3-TRICHLOROPROP-2-EN-1-YL)BENZENE
| Molecular Formula | C9H7Cl3 |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.96133 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 62098-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C=C(Cl)Cl)Cl |
| InChIKey | GPQWWQDXHOURGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1,3,3-trichloro-2-propenyl)- (CAS 62098-05-9), with molecular formula C9H7Cl3 and molecular weight 219.96 g/mol. IUPAC: 1,3,3-trichloroprop-2-enylbenzene.
Chemical Property Profile of Benzene, (1,3,3-trichloro-2-propenyl)-
Property Insights of Benzene, (1,3,3-trichloro-2-propenyl)-
The XLogP value of 4.3 indicates that Benzene, (1,3,3-trichloro-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1,3,3-trichloro-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,3,3-trichloro-2-propenyl)- 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 Benzene, (1,3,3-trichloro-2-propenyl)-?
The CAS number of Benzene, (1,3,3-trichloro-2-propenyl)- is 62098-05-9.
What is the molecular formula of Benzene, (1,3,3-trichloro-2-propenyl)-?
The molecular formula of Benzene, (1,3,3-trichloro-2-propenyl)- is C9H7Cl3.
What is the molecular weight of Benzene, (1,3,3-trichloro-2-propenyl)-?
The molecular weight of Benzene, (1,3,3-trichloro-2-propenyl)- is 219.96 g/mol.
Where can I buy Benzene, (1,3,3-trichloro-2-propenyl)-?
You can request a quote for Benzene, (1,3,3-trichloro-2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1,3,3-trichloro-2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,3,3-trichloro-2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.