2-Chloropropionitrile
TL;DR: 2-Chloropropionitrile (CAS 130233-20-4) is a chemical compound with molecular formula C3H4ClN and molecular weight 89.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloropropanenitrile
Also Known As: 2-Chloropropionitrile, 2-Chloropropanenitrile, Propanenitrile, chloro-, oropropionitriL, CH3CHClCN
| Molecular Formula | C3H4ClN |
|---|---|
| Molecular Weight | 89.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 89.00323 |
| Heavy Atoms | 5 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 130233-20-4 |
|---|---|
| SMILES | CC(C#N)Cl |
| InChIKey | JNAYPRPPXRWGQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloropropionitrile (CAS 130233-20-4), with molecular formula C3H4ClN and molecular weight 89.00 g/mol. IUPAC: 2-chloropropanenitrile.
Chemical Property Profile of 2-Chloropropionitrile
Property Insights of 2-Chloropropionitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloropropionitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Chloropropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloropropionitrile 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 2-Chloropropionitrile?
The CAS number of 2-Chloropropionitrile is 130233-20-4.
What is the molecular formula of 2-Chloropropionitrile?
The molecular formula of 2-Chloropropionitrile is C3H4ClN.
What is the molecular weight of 2-Chloropropionitrile?
The molecular weight of 2-Chloropropionitrile is 89.00 g/mol.
Where can I buy 2-Chloropropionitrile?
You can request a quote for 2-Chloropropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloropropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloropropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.