6-Chlorobenzo[C]isoxazole

Base Information

• Chemical Name: 6-Chlorobenzo[C]isoxazole
• CAS No.: 14313-60-1
• Molecular Formula: C7H4 Cl N O
• Molecular Weight: 153.568
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID101311425
• Nikkaji Number: J150.941A
• Mol file: 14313-60-1.mol

Synonyms:14313-60-1;6-CHLOROBENZO[C]ISOXAZOLE;6-CHLORO-2,1-BENZOXAZOLE;2,1-Benzisoxazole,6-chloro-(8CI,9CI);6-CHLORO-2,1-BENZISOXAZOLE;WRQUJINZKQUIMR-UHFFFAOYSA-;DTXSID101311425;MB19396;InChI=1/C7H4ClNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H

Chemical Property of 6-Chlorobenzo[C]isoxazole

Chemical Property:

• Melting Point: 61.5-62 °C
• Boiling Point: 257.5±13.0 °C(Predicted)
• PKA: -3.97±0.30(Predicted)
• PSA: 26.03000
• Density: 1.377±0.06 g/cm3(Predicted)
• LogP: 2.48120
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.9981414
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

6-Chlorobenzo[c]isoxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=CON=C2C=C1Cl

Technology Process of 6-Chlorobenzo[C]isoxazole

There total 3 articles about 6-Chlorobenzo[C]isoxazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

4-Chloro-2-nitrobenzaldehyde (5551-11-1) → 6-chlorobenzo[c]isoxazole? (14313-60-1)

Guidance literature:

With tin(II) chloride dihdyrate; In methanol; ethyl acetate; at 25 ℃; for 20h;

DOI:10.1016/j.tetlet.2012.07.006

Reference yield:

C7H6ClNO3 → 6-chlorobenzo[c]isoxazole? (14313-60-1)

Guidance literature:

With tin(II) chloride dihdyrate; In methanol; ethyl acetate; at 20 ℃; for 24h;

DOI:10.1039/d1ob00468a

Reference yield:

→ 6-chlorobenzo[c]isoxazole? (14313-60-1)

Guidance literature:

4-Chlor-2-nitrobenzaldehyd, Sn-Folie/Eg.;

DOI:10.1016/S0040-4020(01)99094-5

upstream raw materials:

4-Chloro-2-nitrobenzaldehyde

Downstream raw materials:

2-amino-4-chloro-N-phenylbenzamide