2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)-

Base Information

• Chemical Name: 2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)-
• CAS No.: 18845-23-3
• Molecular Formula: C₁₀H₈BrCl₂NO₂
• Molecular Weight: 324.989
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00172195
• Wikidata: Q83042317
• Mol file: 18845-23-3.mol

Synonyms:18845-23-3;2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)-;BRN 1217205;6-bromo-5-chloro-3-(3-chloropropyl)-1,3-benzoxazol-2-one;6-Bromo-5-chloro-3-(3-chloropropyl)-2-benzoxazolinone;6-bromo-5-chloro-3-(3-chloropropyl)-1,3-benzoxazol-2(3H)-one;C10H8BrCl2NO2;C10-H8-Br-Cl2-N-O2;DTXSID00172195;LS-42266

Chemical Property of 2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)-

Chemical Property:

• Vapor Pressure: 1.87E-07mmHg at 25°C
• Boiling Point: 425.7°Cat760mmHg
• PKA: -2.59±0.20(Predicted)
• Flash Point: 211.3°C
• PSA: 35.14000
• Density: 1.703g/cm³
• LogP: 3.63930
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 322.91155
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

6-BROMO-5-CHLORO-3-(3-CHLOROPROPYL)-2-BENZOXAZOLINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Br)OC(=O)N2CCCCl

Technology Process of 2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)-

There total 2 articles about 2-Benzoxazolinone, 6-bromo-5-chloro-3-(3-chloropropyl)- 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:

1.3-chlorobromopropane (109-70-6) + 5,7-dibromo-6-hydroxy-2H-1,3-benzoxathiol-2-one (5579-85-1) → 3-(3-Chlorpropyl)-5-chlor-6-brom-2-benzoxazolinon (18845-23-3)

Guidance literature:

With potassium hydroxide; In 2-ethoxy-ethanol; for 6h;

DOI:10.1002/jps.2600571029

Reference yield:

→ 3-(3-Chlorpropyl)-5-chlor-6-brom-2-benzoxazolinon (18845-23-3)

Guidance literature:

2-Aminophenolderivat/Harnstoffderivat;

Reference yield:

3-(3-Chlorpropyl)-5-chlor-6-brom-2-benzoxazolinon (18845-23-3) + potassium phtalimide (1074-82-4) → 3-(3-Phthalimidotrimethylen)-5-chlor-6-brom-2-benzoxazolinon (19420-43-0)

Guidance literature:

With potassium hydroxide; In 2-ethoxy-ethanol; for 4h; Heating;

DOI:10.1002/jps.2600571029

upstream raw materials:

1.3-chlorobromopropane

5,7-dibromo-6-hydroxy-2H-1,3-benzoxathiol-2-one

Downstream raw materials:

3-(3-Phthalimidotrimethylen)-5-chlor-6-brom-2-benzoxazolinon

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