Benzeneacetonitrile, ar,ar,ar-trichloro-
TL;DR: Benzeneacetonitrile, ar,ar,ar-trichloro- (CAS 70833-63-5) is a chemical compound with molecular formula C8H4Cl3N and molecular weight 218.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trichlorophenyl)acetonitrile
Also Known As: 2-(2,4,6-trichlorophenyl)acetonitrile, Trichlorophenylacetonitrile, Benzeneacetonitrile, ar,ar,ar-trichloro-, (2,4,6-trichlorophenyl)acetonitrile, (2,4,6-trichloro-phenyl)-acetonitrile
| Molecular Formula | C8H4Cl3N |
|---|---|
| Molecular Weight | 218.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.94093 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 70833-63-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)CC#N)Cl)Cl |
| InChIKey | KQWHNBIYSHFRLC-UHFFFAOYSA-N |
Product Overview
Benzeneacetonitrile, ar,ar,ar-trichloro- (CAS 70833-63-5), with molecular formula C8H4Cl3N and molecular weight 218.94 g/mol. IUPAC: 2-(2,4,6-trichlorophenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, ar,ar,ar-trichloro-
Property Insights of Benzeneacetonitrile, ar,ar,ar-trichloro-
The XLogP value of 3.5 indicates that Benzeneacetonitrile, ar,ar,ar-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzeneacetonitrile, ar,ar,ar-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, ar,ar,ar-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 Benzeneacetonitrile, ar,ar,ar-trichloro-?
The CAS number of Benzeneacetonitrile, ar,ar,ar-trichloro- is 70833-63-5.
What is the molecular formula of Benzeneacetonitrile, ar,ar,ar-trichloro-?
The molecular formula of Benzeneacetonitrile, ar,ar,ar-trichloro- is C8H4Cl3N.
What is the molecular weight of Benzeneacetonitrile, ar,ar,ar-trichloro-?
The molecular weight of Benzeneacetonitrile, ar,ar,ar-trichloro- is 218.94 g/mol.
Where can I buy Benzeneacetonitrile, ar,ar,ar-trichloro-?
You can request a quote for Benzeneacetonitrile, ar,ar,ar-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, ar,ar,ar-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, ar,ar,ar-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.