1-Bromo-2-methyl-4-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 1-Bromo-2-methyl-4-(trifluoromethoxy)benzene
• CAS No.: 261951-96-6
• Molecular Formula: C₈H₆BrF₃O
• Molecular Weight: 255.034
• Hs Code.: 2909309090
• European Community (EC) Number: 626-568-5
• DSSTox Substance ID: DTXSID90379590
• Wikidata: Q82169470
• Mol file: 261951-96-6.mol

Synonyms:261951-96-6;1-bromo-2-methyl-4-(trifluoromethoxy)benzene;2-Methyl-4-(trifluoromethoxy)bromobenzene;1-Bromo-2-methyl-4-trifluoromethoxybenzene;2-Bromo-5-(trifluoromethoxy)toluene;MFCD01631545;1-bromo-2-methyl-4-trifluoromethoxy-benzene;Benzene, 1-bromo-2-methyl-4-(trifluoromethoxy)-;SCHEMBL1221631;AMY6201;DTXSID90379590;AKOS015835314;PS-7413;SY262956;CS-0059177;Benzenemethanamine, 3-methoxy-.alpha.-methyl-;EN300-73568;N12001;2-Methyl-4-(trifluoromethoxy)bromobenzene, 97%;1-bromanyl-2-methyl-4-(trifluoromethyloxy)benzene;A818309

Chemical Property of 1-Bromo-2-methyl-4-(trifluoromethoxy)benzene

Chemical Property:

• Vapor Pressure: 0.521mmHg at 25°C
• Refractive Index: n 20/D 1.469
• Boiling Point: 197.9°Cat760mmHg
• Flash Point: 90.8°C
• PSA: 9.23000
• Density: 1.571g/cm³
• LogP: 3.65610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.95541
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(F)(F)F)Br

Technology Process of 1-Bromo-2-methyl-4-(trifluoromethoxy)benzene

There total 1 articles about 1-Bromo-2-methyl-4-(trifluoromethoxy)benzene 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: 75.0%

2-methyl-4-trifluoromethoxy-phenylamine (86256-59-9) → 1-bromo-2-methyl-4-(trifluoromethoxy)benzene (261951-96-6)

Guidance literature:

With p-toluenesulfonic acid monohydrate; tetrabutylammomium bromide; copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 20 ℃; for 12h;

Reference yield: 86.0%

ethanol (64-17-5) + 1-bromo-2-methyl-4-(trifluoromethoxy)benzene (261951-96-6) → ethyl 2-methyl-4-(trifluoromethoxy)benzoate

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; carbon monoxide; triethylamine; at 80 ℃; for 16h; under 2585.81 Torr;

Reference yield: 55.0%

1-bromo-2-methyl-4-(trifluoromethoxy)benzene (261951-96-6) → tris(2-methyl-4-(trifluoromethoxy)phenyl)phosphine

Guidance literature:

1-bromo-2-methyl-4-(trifluoromethoxy)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h; Inert atmosphere;

With phosphorus trichloride; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

2-methyl-4-trifluoromethoxy-phenylamine

Downstream raw materials:

1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene

2-(2-methyl-4-(trifluoromethoxy)phenyl)acetic acid

Refernces

• 1、 -. "COMPOUNDS AND THEIR METHODS OF USE". Page/Page column 109; 110. . Retrieved 2018/06/12.