Allidochlor
TL;DR: Allidochlor (CAS 93-71-0) is a chemical compound with molecular formula C8H12ClNO and molecular weight 173.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N,N-bis(prop-2-enyl)acetamide
Also Known As: Allidochlor, Alidochlor, N,N-Diallyl-2-chloroacetamide, Alidochlore, Cdaat
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.06075 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.06075 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| Melting Point | 145 °C |
| Boiling Point | 165 °F at 0.3 mmHg (NTP, 1992) |
| Density | 1.088 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 186 °C OC; 15 °C CC |
| Vapor Pressure | 0.0094 [mmHg] |
| Refractive Index | Index of refraction: 1.4932 @ 25 °C/D |
| Solubility | Slighty soluble (NTP, 1992) |
| SMILES | C=CCN(CC=C)C(=O)CCl |
| InChIKey | MDBGGTQNNUOQRC-UHFFFAOYSA-N |
Product Description
Applications: Allidochlor is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allidochlor (CAS 93-71-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, Allidochlor (CAS 93-71-0) has the molecular formula C8H12ClNO and a molecular weight of 173.06 g/mol. Reported properties include a density of 1.088 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Slighty soluble (NTP, 1992). It is also known as Allidochlor and Alidochlor.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Allidochlor
Property Insights of Allidochlor
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allidochlor. With a topological polar surface area (TPSA) of 20.3 Ų, Allidochlor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allidochlor 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
What is the CAS number of Allidochlor?
The CAS number of Allidochlor is 93-71-0.
What is the molecular formula of Allidochlor?
The molecular formula of Allidochlor is C8H12ClNO.
What is the molecular weight of Allidochlor?
The molecular weight of Allidochlor is 173.06075 g/mol.
What are the applications of Allidochlor?
Allidochlor is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allidochlor (CAS 93-71-0)...
Where can I buy Allidochlor?
You can request a quote for Allidochlor directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allidochlor?
Yes, CoreyChem provides custom synthesis services for Allidochlor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.