2-(三氟甲基)苯甲酰氯
TL;DR: 2-(三氟甲基)苯甲酰氯 (CAS 312-94-7) is a chemical compound with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(三氟甲基)苯甲酰氯
2-(trifluoromethyl)benzoyl chloride
Also Known As: 2-(Trifluoromethyl)benzoyl chloride, o-Trifluoromethylbenzoyl chloride, 2-trifluoromethylbenzoyl chloride, OTF-BOC, alpha,alpha,alpha-Trifluoro-o-toluoyl chloride
| Molecular Formula | C8H4ClF3O |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.99028 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 312-94-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)C(F)(F)F |
| InChIKey | MXIUWSYTQJLIKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(三氟甲基)苯甲酰氯 (CAS 312-94-7), with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol. IUPAC: 2-(trifluoromethyl)benzoyl chloride.
Chemical Property Profile of 2-(三氟甲基)苯甲酰氯
Property Insights of 2-(三氟甲基)苯甲酰氯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(三氟甲基)苯甲酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(三氟甲基)苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(三氟甲基)苯甲酰氯 has 0 hydrogen bond donor(s) and 4 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-(三氟甲基)苯甲酰氯?
The CAS number of 2-(三氟甲基)苯甲酰氯 is 312-94-7.
What is the molecular formula of 2-(三氟甲基)苯甲酰氯?
The molecular formula of 2-(三氟甲基)苯甲酰氯 is C8H4ClF3O.
What is the molecular weight of 2-(三氟甲基)苯甲酰氯?
The molecular weight of 2-(三氟甲基)苯甲酰氯 is 207.99 g/mol.
Where can I buy 2-(三氟甲基)苯甲酰氯?
You can request a quote for 2-(三氟甲基)苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(三氟甲基)苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-(三氟甲基)苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.