3-Bromo-4-methylbenzamide

Base Information

• Chemical Name: 3-Bromo-4-methylbenzamide
• CAS No.: 183723-09-3
• Molecular Formula: C8H8BrNO
• Molecular Weight: 214.062
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60350497
• Wikidata: Q72446654
• Mol file: 183723-09-3.mol

Synonyms:3-bromo-4-methylbenzamide;183723-09-3;3-bromo-4-methyl-benzamide;SCHEMBL1163376;DTXSID60350497;HAUIONXDUJDQSK-UHFFFAOYSA-N;BCP25638;MFCD03306087;STK098414;AKOS000492276;3-bromo-4-methylbenzamide, AldrichCPR;FS-3556;4-(1,3-Dihydro-isoindol-2-yl)-benzoicacid;BB 0259612;CS-0061130;FT-0681340;EN300-643070;W17426;A812813;Z57206544

Chemical Property of 3-Bromo-4-methylbenzamide

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Boiling Point: 284.9oC at 760 mmHg
• PKA: 15.59±0.50(Predicted)
• Flash Point: 126.1oC
• PSA: 43.09000
• Density: 1.522g/cm3
• LogP: 2.55670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)N)Br

Technology Process of 3-Bromo-4-methylbenzamide

There total 9 articles about 3-Bromo-4-methylbenzamide 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: 99.0%

3-bromo-4-methylbenzoic acid (7697-26-9) → 3-bromo-4-methyl-benzamide (183723-09-3)

Guidance literature:

3-bromo-4-methylbenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 25 ℃;

With ammonia; In tetrahydrofuran; at -78 - 25 ℃;

Reference yield: 70.0%

→ 3-bromo-4-methyl-benzamide (183723-09-3)

Guidance literature:

Reference yield: 13.0%

(3-bromo-4-methyl-phenyl)-methanol (68120-35-4) → 1,3-bis(3-bromo-4-methylphenyl)urea (1260824-22-3) + 3-bromo-4-methyl-benzamide (183723-09-3)

Guidance literature:

With sodium azide; [bis(acetoxy)iodo]benzene; In acetonitrile; at 0 - 80 ℃; for 36h; Inert atmosphere;

DOI:10.1002/adsc.201000318

upstream raw materials:

3-bromo-4-methyl-benzonitrile

3-bromo-4-methylbenzoic acid

3-bromo-4-methylbenzoyl chloride

oxalyl dichloride

Downstream raw materials:

2-(3-bromo-4-methyl-phenyl)-oxazole

2-(3-bromo-4-methylphenyl)thiazole

(2-bromo-4-cyanophenyl)methyl acetate

1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonitrile