Benzene, (3,3,3-trichloro-1-propen-1-yl)-
TL;DR: Benzene, (3,3,3-trichloro-1-propen-1-yl)- (CAS 60504-00-9) 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.
3,3,3-trichloroprop-1-enylbenzene
Also Known As: Trichloromethylstyrene, (3,3,3-Trichloro-1-propenyl)benzene, 3,3,3-trichloroprop-1-enylbenzene, 1,1,1-Trichloro-3-phenyl-2-propene, (3,3,3-Trichloroprop-1-enyl)benzene
| Molecular Formula | C9H7Cl3 |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.96133 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 60504-00-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(Cl)(Cl)Cl |
| InChIKey | NUDSHVLUIKPZLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (3,3,3-trichloro-1-propen-1-yl)- (CAS 60504-00-9), with molecular formula C9H7Cl3 and molecular weight 219.96 g/mol. IUPAC: 3,3,3-trichloroprop-1-enylbenzene.
Chemical Property Profile of Benzene, (3,3,3-trichloro-1-propen-1-yl)-
Property Insights of Benzene, (3,3,3-trichloro-1-propen-1-yl)-
The XLogP value of 4.5 indicates that Benzene, (3,3,3-trichloro-1-propen-1-yl)- 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, (3,3,3-trichloro-1-propen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3,3,3-trichloro-1-propen-1-yl)- 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, (3,3,3-trichloro-1-propen-1-yl)-?
The CAS number of Benzene, (3,3,3-trichloro-1-propen-1-yl)- is 60504-00-9.
What is the molecular formula of Benzene, (3,3,3-trichloro-1-propen-1-yl)-?
The molecular formula of Benzene, (3,3,3-trichloro-1-propen-1-yl)- is C9H7Cl3.
What is the molecular weight of Benzene, (3,3,3-trichloro-1-propen-1-yl)-?
The molecular weight of Benzene, (3,3,3-trichloro-1-propen-1-yl)- is 219.96 g/mol.
Where can I buy Benzene, (3,3,3-trichloro-1-propen-1-yl)-?
You can request a quote for Benzene, (3,3,3-trichloro-1-propen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3,3,3-trichloro-1-propen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3,3,3-trichloro-1-propen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.