Benzonitrile, 3,4,5-trichloro-
TL;DR: Benzonitrile, 3,4,5-trichloro- (CAS 6575-06-0) is a chemical compound with molecular formula C7H2Cl3N and molecular weight 204.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichlorobenzonitrile
Also Known As: 3,4,5-Trichlorobenzonitrile, Benzonitrile, 3,4,5-trichloro-, Benzonitrile,3,4,5-trichloro, RefChem:328011
| Molecular Formula | C7H2Cl3N |
|---|---|
| Molecular Weight | 204.93 g/mol |
| LogP | 3.51848 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.92528 |
| Heavy Atoms | 11 |
| Complexity | 303.94296 |
Chemical Identifiers
| CAS Number | 6575-06-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C#N |
Product Overview
Benzonitrile, 3,4,5-trichloro- (CAS 6575-06-0), with molecular formula C7H2Cl3N and molecular weight 204.93 g/mol. IUPAC: 3,4,5-trichlorobenzonitrile.
Chemical Property Profile of Benzonitrile, 3,4,5-trichloro-
Property Insights of Benzonitrile, 3,4,5-trichloro-
The XLogP value of 3.51848 indicates that Benzonitrile, 3,4,5-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Benzonitrile, 3,4,5-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3,4,5-trichloro- has 0 hydrogen bond donor(s) and 1 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 Benzonitrile, 3,4,5-trichloro-?
The CAS number of Benzonitrile, 3,4,5-trichloro- is 6575-06-0.
What is the molecular formula of Benzonitrile, 3,4,5-trichloro-?
The molecular formula of Benzonitrile, 3,4,5-trichloro- is C7H2Cl3N.
What is the molecular weight of Benzonitrile, 3,4,5-trichloro-?
The molecular weight of Benzonitrile, 3,4,5-trichloro- is 204.93 g/mol.
Where can I buy Benzonitrile, 3,4,5-trichloro-?
You can request a quote for Benzonitrile, 3,4,5-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3,4,5-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3,4,5-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.