2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one
• CAS No.: 175135-93-0
• Molecular Formula: C10H10 Br Cl O
• Molecular Weight: 261.546
• Hs Code.: 2914700090
• European Community (EC) Number: 638-912-1
• DSSTox Substance ID: DTXSID50379293
• Mol file: 175135-93-0.mol

Synonyms:175135-93-0;2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one;2-Bromo-3'-chloro-4'-methylpropiophenone;SCHEMBL634550;1-Propanone,2-bromo-1-(3-chloro-4-methylphenyl)-;DTXSID50379293;RGMFWCVOMGKIJM-UHFFFAOYSA-N;MFCD00067862;AKOS015891137;2-Bromo-3-chloro-4'-methylpropiophenone;FT-0611334;A811745;2-bromo-1-(3-chloro-4-methyl-phenyl)propan-1-one;W-206103

Chemical Property of 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000385mmHg at 25°C
• Boiling Point: 317.5°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 17.07000
• Density: 1.459g/cm³
• LogP: 3.61450
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 259.96036
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-3'-chloro-4'-methylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one

There total 1 articles about 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one 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: 65.0%

3'-chloro-4'-methylpropiophenone → 2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one (175135-93-0)

Guidance literature:

With bromine; In dichloromethane; for 16.25h; Inert atmosphere;

DOI:10.1021/jm901189z

Reference yield:

2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one (175135-93-0) + diethyl 1H-pyrazole-3,5-dicarboxylate (37687-24-4) → diethyl 1-[1-(3-chloro-4-methylphenyl)-1-oxopropan-2-yl]-1H-pyrazole-3,5-dicarboxylate

Guidance literature:

With water; potassium carbonate; In acetone; at 20 ℃;

Reference yield:

2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one (175135-93-0) + tert-butylamine (75-64-9) → 2-(N-tert-butylamino)-3'-chloro-4'-methylpropiophenone (1193779-38-2)

Guidance literature:

at 80 ℃; for 2.5h;

DOI:10.1021/jm901189z

Downstream raw materials:

2-(N-tert-butylamino)-3'-chloro-4'-methylpropiophenone