3-(4-Tolyl)-3-(trifluoromethyl)diazirine

Base Information

Chemical Name:3-(4-Tolyl)-3-(trifluoromethyl)diazirine
CAS No.:87736-85-4
Molecular Formula:C9H7 F3 N2
Molecular Weight:200.163
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90236598
Nikkaji Number:J959.087K
Mol file:87736-85-4.mol

Synonyms:3-(4-tolyl)-3-(trifluoromethyl)diazirine;TTFDA

Suppliers and Price of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine
5mg
$ 140.00

Medical Isotopes, Inc.
3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine
50 mg
$ 2120.00

Medical Isotopes, Inc.
3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine
5 mg
$ 640.00

Total 6 raw suppliers

Chemical Property of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine

Chemical Property:

Vapor Pressure:0.43mmHg at 25°C
Boiling Point:201.8±50.0℃ (760 Torr)
Flash Point:75.8±30.1℃
PSA：24.72000
Density:1.34±0.1 g/cm3 (20 ºC 760 Torr)
LogP:2.04710
Storage Temp.:Amber Vial, -86°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:200.05613272
Heavy Atom Count:14
Complexity:245

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2(N=N2)C(F)(F)F
Uses 3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine is used in photoaffinity probes.

Technology Process of 3-(4-Tolyl)-3-(trifluoromethyl)diazirine

There total 9 articles about 3-(4-Tolyl)-3-(trifluoromethyl)diazirine 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: 91.0%

: 87736-82-1
3-(4-methylphenyl)-3-trifluoromethyldiaziridine

: 87736-85-4
4-[3-(trifluoromethyl)-3H-diaziren-3-yl]toluene

Guidance literature:: With silver(l) oxide; In diethyl ether; for 1h;

Reference yield:

: 394-59-2
2,2,2-trifluoro-1-(p-tolyl)ethanone

: 87736-85-4
4-[3-(trifluoromethyl)-3H-diaziren-3-yl]toluene

Guidance literature:: Multi-step reaction with 4 steps

1: hydroxylamine

2: pyridine

3: NH₃ (liquid)

4: I₂; Et₃N

With pyridine; ammonia; hydroxylamine; iodine; triethylamine;
DOI:10.1246/cl.2006.1172

Reference yield:

: 75703-25-2
2,2,2-trifluoro-1-(4-methylphenyl)-1-ethanone oxime

: 87736-85-4
4-[3-(trifluoromethyl)-3H-diaziren-3-yl]toluene

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine

2: NH₃ (liquid)

3: I₂; Et₃N

With pyridine; ammonia; iodine; triethylamine;
DOI:10.1246/cl.2006.1172