2-硝基苯甲酰氯
TL;DR: 2-硝基苯甲酰氯 (CAS 610-14-0) is a chemical compound with molecular formula C7H4ClNO3 and molecular weight 184.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基苯甲酰氯
2-nitrobenzoyl chloride
Also Known As: 2-Nitrobenzoyl chloride, O-NITROBENZOYL CHLORIDE, Benzoyl chloride, 2-nitro-, 2-Nitrobenzoylchloride, Nitrobenzoyl chloride
| Molecular Formula | C7H4ClNO3 |
|---|---|
| Molecular Weight | 184.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.98798 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
| Melting Point | 25.0 °C |
| Boiling Point | 527 to 277.8 °C at 760 mmHg ; 306-189.4 °C at 18 mmHg |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 610-14-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-] |
| InChIKey | BWWHTIHDQBHTHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基苯甲酰氯 (CAS 610-14-0), with molecular formula C7H4ClNO3 and molecular weight 184.99 g/mol. IUPAC: 2-nitrobenzoyl chloride.
Chemical Property Profile of 2-硝基苯甲酰氯
Property Insights of 2-硝基苯甲酰氯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基苯甲酰氯. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基苯甲酰氯. Following Lipinski's Rule of Five, 2-硝基苯甲酰氯 has 0 hydrogen bond donor(s) and 3 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-硝基苯甲酰氯?
The CAS number of 2-硝基苯甲酰氯 is 610-14-0.
What is the molecular formula of 2-硝基苯甲酰氯?
The molecular formula of 2-硝基苯甲酰氯 is C7H4ClNO3.
What is the molecular weight of 2-硝基苯甲酰氯?
The molecular weight of 2-硝基苯甲酰氯 is 184.99 g/mol.
Where can I buy 2-硝基苯甲酰氯?
You can request a quote for 2-硝基苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.