3-Bromoacetanilide

Base Information

• Chemical Name: 3-Bromoacetanilide
• CAS No.: 621-38-5
• Molecular Formula: C8H8 Br N O
• Molecular Weight: 214.062
• Hs Code.: 2924299090
• NSC Number: 408071
• DSSTox Substance ID: DTXSID50211149
• Nikkaji Number: J94.955H
• Wikidata: Q83086000
• Mol file: 621-38-5.mol

Synonyms:N-(3-bromophenyl)acetamide;621-38-5;3-BROMOACETANILIDE;3'-Bromoacetanilide;Acetamide, N-(3-bromophenyl)-;Acetanilide, 3'-bromo-;m-Bromoacetanilide;BRN 2086784;Acetamide, N-(3-bromophenyl)- (9CI);4-12-00-01494 (Beilstein Handbook Reference);NSC408071;3,4'-bromoacetanilide;3'-BROMO ACETANILIDE;SCHEMBL264735;N-(3-Bromo-phenyl)-acetamide;DTXSID50211149;N-(3-Bromophenyl)acetic acid amide;BBL037290;MFCD00461391;STK792360;AKOS000189095;FS-4014;NSC 408071;NSC-408071;BB 0262707;CS-0089812;EU-0051412;FT-0614848;EN300-78587;10.14272/XXHOHJTVFUJJMT-UHFFFAOYSA-N;doi:10.14272/XXHOHJTVFUJJMT-UHFFFAOYSA-N;SR-01000514439;SR-01000514439-1;Z27788933

Chemical Property of 3-Bromoacetanilide

Chemical Property:

• Vapor Pressure: 4.77E-05mmHg at 25°C
• Melting Point: 87-89 °C
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 349.2°C at 760 mmHg
• PKA: 14.45±0.70(Predicted)
• Flash Point: 165°C
• PSA: 29.10000
• Density: 1.543g/cm³
• LogP: 2.48050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

N-(3-Bromophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC=C1)Br

Technology Process of 3-Bromoacetanilide

There total 29 articles about 3-Bromoacetanilide 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: 100.0%

acetic anhydride (108-24-7) + m-Bromoaniline (591-19-5) → 3-bromoacetanilide (621-38-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 10 - 20 ℃; for 4h;

Reference yield: 100.0%

m-nitrobromobenzene (585-79-5) + acetic anhydride (108-24-7) → 3-bromoacetanilide (621-38-5)

Guidance literature:

With indium; acetic acid; In methanol; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(02)02479-6

Reference yield: 99.3%

acetyl chloride (75-36-5) + m-Bromoaniline (591-19-5) → 3-bromoacetanilide (621-38-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

acetic anhydride

m-Bromoaniline

1-ethoxyvinyl acetate

3-Brom-2-cyclohexen-1-on-oxim

Downstream raw materials:

5-bromo-2-nitroaniline

3-bromo-4-nitroaniline

4-[3-(methylamidyl)benzoyl]-1-methylpiperidine

1-acetamido-3-[(E)-3-diethoxyphosphorylprop-1-enyl]-benzene