1-Bromo-4-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 1-Bromo-4-(trifluoromethoxy)benzene
• CAS No.: 407-14-7
• Molecular Formula: C7H4BrF3O
• Molecular Weight: 241.007
• Hs Code.: 29093090
• European Community (EC) Number: 206-979-2
• UNII: AD5CH69MK6
• DSSTox Substance ID: DTXSID90193672
• Nikkaji Number: J213.665A
• Wikidata: Q72513263
• Mol file: 407-14-7.mol

Synonyms:1-Bromo-4-(trifluoromethoxy)benzene;407-14-7;4-(Trifluoromethoxy)bromobenzene;4-Bromo(trifluoromethoxy)benzene;4-trifluoromethoxybromobenzene;Benzene, 1-bromo-4-(trifluoromethoxy)-;p-bromotrifluoromethoxybenzene;C7H4BrF3O;4-bromo-1-(trifluoromethoxy)benzene;MFCD00040834;1-bromo-4-trifluoromethoxy-benzene;p-trifluoromethoxybromobenzene;4-bromotrifluoromethoxybenzene;4-bromo-trifluoromethoxybenzene;4-trifluoromethoxy-1-bromobenzene;p-Bromophenyl trifluoromethyl ether;EINECS 206-979-2;4-trifluoromethoxyphenyl bromide;AD5CH69MK6;SCHEMBL220074;4-trifluoromethoxy bromobenzene;4-trifluoromethoxy-bromobenzene;trifluoromethoxy-4-bromobenzene;4-trifluoromethyloxybromobenzene;C7-H4-Br-F3-O;4-(trifluromethoxy)bromobenzene;p-Bromo(trifluoromethoxy)benzene;4-trifluoromethoxy bromo benzene;1-bromo-4-trifluoromethoxybenzene;DTXSID90193672;4-(trifluoromethoxy)phenyl bromide;1-bromo4-(trifluoromethoxy)benzene;4-bromo-(trifluoromethoxy)-benzene;1-bromo-4-(trifluoro-methoxy)benzene;1-bromo-4-(trifluoromethoxy)-benzene;AKOS000176204;AM61510;CS-W010286;PS-7577;SB66809;1-bromo-4-(trifluoromethyloxy)-benzene;AC-13391;1-Bromo-4-(trifluoromethoxy)benzene, 99%;B1772;FT-0616890;EN300-107648;W-106336

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

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 6mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 161.9 °C at 760 mmHg
• Flash Point: 67.8 °C
• PSA: 9.23000
• Density: 1.65 g/cm³
• LogP: 3.34770
• Storage Temp.: Store below +30°C.
• Solubility.: 11.7mg/l
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 239.93976
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,N,Xi
• Hazard Codes: Xn,N,Xi
• Statements: 22-36/37/38-43-51/53
• Safety Statements: 26-36/37-61-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)Br
• Uses: 1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.

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

There total 20 articles about 1-Bromo-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: 84.0%

(4-bromophenyl)tri-n-butylstannane (17151-49-4) + tris(dimethylamino)sulfonium trifluoromethoxide (96898-10-1) → 1-bromo-4-(trifluoromethoxy)benzene (407-14-7)

Guidance literature:

(4-bromophenyl)tributylstannane; tris(dimethylamino)sulfonium trifluoromethoxide; With trifluoromethyl trifluoromethanesulfonate; sodium hydrogencarbonate; In tetrahydrofuran; at -30 ℃; Inert atmosphere;

With silver(I) hexafluorophosphate; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate); In tetrahydrofuran; acetone; at -30 - 23 ℃; Inert atmosphere; Darkness;

DOI:10.1021/ja204861a

Reference yield: 83.8%

1-trifluoromethoxybenzene (456-55-3) → 1-bromo-4-(trifluoromethoxy)benzene (407-14-7)

Guidance literature:

With bromine; iron; at 100 ℃; for 16h;

Reference yield: 79.0%

α,α-difluoro(4-bromophenoxy)acetic acid → 1-bromo-4-(trifluoromethoxy)benzene (407-14-7)

Guidance literature:

With trifluorormethanesulfonic acid; selectfluor II; silver nitrate; In water; at 80 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.6b01779

upstream raw materials:

4-bromo-phenol

Carbonyl fluoride

1-trifluoromethoxybenzene

O-4-bromophenyl S-methyl dithiocarbonate

Downstream raw materials:

trifluoromethoxy-4 trifluoromethyl-4' benzophenone

4-Trifluormethoxy-3',5'-dichlorbenzophenon

p-methyl-α,α,α-trifluoromethoxybenzene

N-Pyridin-3-yl-N-(4-trifluoromethoxy-phenyl)-acetamide

Refernces

• 1、 Cendón, Borja,Gulías, Moisés,Ho, Michelle,No?l, Timothy,Nyuchev, Alexander V.,Sambiagio, Carlo,Struijs, Job J. C.,Wan, Ting,Wang, Ying. "Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow". supporting information. p. 1305 - 1312. Retrieved 2020/07/10.
• 2、 -. "DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME". Page/Page column 43; 46; 56; 58-59. . Retrieved 2019/09/18.