1,4-Dibromo-2-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1,4-Dibromo-2-(trifluoromethyl)benzene
• CAS No.: 7657-09-2
• Molecular Formula: C7H3Br2F3
• Molecular Weight: 303.904
• Hs Code.: 2903999090
• European Community (EC) Number: 231-620-1
• NSC Number: 88275
• UNII: 5W6VZ4P352
• DSSTox Substance ID: DTXSID20227378
• Nikkaji Number: J307.911B
• Wikidata: Q72463898
• Mol file: 7657-09-2.mol

Synonyms:2,5-Dibromobenzotrifluoride;1,4-Dibromo-2-(trifluoromethyl)benzene;7657-09-2;Benzene, 1,4-dibromo-2-(trifluoromethyl)-;1,4-Bibromo-2-(trifluoromethyl)benzene;5W6VZ4P352;MFCD00013554;NSC-88275;1,4-dibromo-2-trifluoromethyl-benzene;Toluene, 2,5-dibromo-alpha,alpha,alpha-trifluoro-;NSC88275;2,5-Dibromobenzotrifloride;NCIOpen2_009660;2,5-dibromobenzenetrifluoride;SCHEMBL394303;UNII-5W6VZ4P352;DTXSID20227378;2,5-Dibromobenzotrifluoride, 98%;2,5-dibromo-a,a,a-trifluorotoluene;EINECS 231-620-1;2,5-DIBROMO TRIFLUOROTOLUENE;CK2352;NSC 88275;1,4-dibromo-2-trifluoromethylbenzene;AKOS005063700;AM61675;CS-W009944;PS-7117;Benzene,4-dibromo-2-(trifluoromethyl)-;1,4-dibro-mo-2-(trifluoromethyl)benzene;SY024082;D4769;FT-0610277;DL-3-Amino-3-(3-Fluoro-phenyl)propionic acid

Chemical Property of 1,4-Dibromo-2-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.282mmHg at 25°C
• Melting Point: 49-51 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 210.2 °C at 760 mmHg
• Flash Point: 80.9 °C
• PSA: 0.00000
• Density: 1.956 g/cm³
• LogP: 4.23040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 303.85331
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dibromobenzotrifluoride >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)Br
• Uses: 2,5-Dibromobenzotrifluoride (CAS# 7657-09-2) can be used to prepare for use as anti-cancer agents. It can also be used as a novel anhydride compound to prepare polyamic acid and polyimide. 2,5-Dibromobenzotrifluoride (1,4-Dibromo-2-(trifluoromethyl)benzene) may be used to synthesize 4-bromo-2-(trifluoromethyl)benzaldehyde and functionalized alkynyl-substituted (trifluoromethyl)benzenes.

Technology Process of 1,4-Dibromo-2-(trifluoromethyl)benzene

There total 7 articles about 1,4-Dibromo-2-(trifluoromethyl)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: 63.0%

4-bromo-3-(trifluoromethyl)aniline (393-36-2) → 1,4-dibromo-2-(trifluoromethyl)benzene (7657-09-2)

Guidance literature:

4-bromo-3-(trifluoromethyl)aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 1h;

With hydrogen bromide; copper(I) bromide; In water; at 20 - 70 ℃;

Reference yield:

→ 1,4-dibromo-2-(trifluoromethyl)benzene (7657-09-2)

Guidance literature:

With sodium nitrite; Erwaermen der Reaktionsloesung mit Kupfer-Pulver auf 60grad;

DOI:10.1021/ja01152a111

Reference yield:

α,α,α-trifluorotoluene (98-08-8) → 1,2-dibromo-4-(trifluoromethyl)benzene (7657-08-1) + 1,4-dibromo-2-(trifluoromethyl)benzene (7657-09-2)

Guidance literature:

With antimonypentachloride; bromine; Einleiten von Chlor;

DOI:10.1021/ja01200a060

upstream raw materials:

α,α,α-trifluorotoluene

N-acetyl-3-trifluoromethylbenzenamine

N-(4-bromo-3-trifluoromethylphenyl)acetamide

4-bromo-3-(trifluoromethyl)aniline

Downstream raw materials:

2,5-dibromobenzoic acid

4-dibromo-2-(trifluoromethyl)benzaldehyde

propyl {3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-5-isoxazolyl}[2-(2,3-difluorophenyl)-5H-imidazo[4,5-d]pyridazin-5-yl]acetate

methyl {3-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-5-isoxazolyl}[2-(2,3-difluorophenyl)-5H-imidazo[4,5-d]pyridazin-5-yl]acetate

Refernces

• 1、 Kunshenko, B. V.,Omarov, V. O.,Muratov, N. N.,Mikhailevskii, S. M.,Yagupol'skii, L. M.. "REACTIONS OF ORGANIC COMPOUNDS WITH SF4-HF-HALOGENATING AGENT SYSTEMS VI. REACTIONS OF BENZENE AND ITS DERIVATIVES WITH SF4-HF-Cl2(Br2)". . p. 108 - 112. Retrieved 2007/10/02.