N-(4-bromo-3-chloro-2-methylphenyl)acetamide

Base Information

• Chemical Name: N-(4-bromo-3-chloro-2-methylphenyl)acetamide
• CAS No.: 125328-80-5
• Molecular Formula: C9H9BrClNO
• Molecular Weight: 262.534
• Hs Code.: 2924297099
• European Community (EC) Number: 603-055-4
• DSSTox Substance ID: DTXSID00154739
• Nikkaji Number: J1.596.726I
• Wikidata: Q72453001
• Mol file: 125328-80-5.mol

Synonyms:125328-80-5;N-(4-bromo-3-chloro-2-methylphenyl)acetamide;N-Acetyl-4-bromo-3-chloro-2-methylaniline;4'-Bromo-3'-chloro-2'-methylacetanilide;Acetamide, N-(4-bromo-3-chloro-2-methylphenyl)-;N-(4-bromo-3-chloro-2-methyl-phenyl)-acetamide;6-Acetamido-3-bromo-2-chlorotoluene;6-ACETAMIDO-3-BROMO-2-CHLORO-TOLUENE;C9-H9-Br-Cl-N-O;N-(4-bromo-3-chloro-2-methyl-phenyl)acetamide;SCHEMBL2429572;AMY6744;DTXSID00154739;MFCD08059123;AKOS015837962;2'-Methyl-3'-chloro-4'-bromoacetoanilide;CS-0007912;FT-0727863;A805373

Chemical Property of N-(4-bromo-3-chloro-2-methylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.27E-05mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 368.5 °C at 760 mmHg
• PKA: 13.58±0.70(Predicted)
• Flash Point: 176.7 °C
• PSA: 29.10000
• Density: 1.572g/cm³
• LogP: 3.44230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 260.95560
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Bromo-3-chloro-2-methylphenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1Cl)Br)NC(=O)C
• Uses: N-(4-Bromo-3-chloro-2-methylphenyl)acetamide is a reagent used in the synthesis of indoxyl-glycosides which are used for monitoring glycosidase activities.

Technology Process of N-(4-bromo-3-chloro-2-methylphenyl)acetamide

There total 4 articles about N-(4-bromo-3-chloro-2-methylphenyl)acetamide 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: 97.0%

4-amino-2-chloro-3-methylbromobenzene (627531-47-9) + acetic anhydride (108-24-7) → N-(4-bromo-3-chloro-2-methylphenyl)acetamide (125328-80-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 16.5h;

DOI:10.1021/ol401710a

Reference yield: 96.0%

N-(3-chloro-2-methylphenyl)acetamide (7463-35-6) → N-(4-bromo-3-chloro-2-methylphenyl)acetamide (125328-80-5)

Guidance literature:

With bromine; acetic acid; for 2h;

DOI:10.1021/jm070312d

Reference yield: 96.0%

3-chloro-2-methylbenzenamine (87-60-5) → N-(4-bromo-3-chloro-2-methylphenyl)acetamide (125328-80-5)

Guidance literature:

upstream raw materials:

N-(3-chloro-2-methylphenyl)acetamide

bromine

nitrobenzene

3-chloro-2-methylbenzenamine

Downstream raw materials:

N-(3-chloro-4-cyano-2-methylphenyl)acetamide

C₁₅H₁₅BrClNO₄

(5-Bromo-4-chloro-indol-3-yl)-β-L-fucopyranoside

5-bromo-4-chloro-indol-3-yl-(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosylonic acid)