3H-Diazirine, 3-chloro-3-(4-methylphenyl)-

Base Information

Chemical Name:3H-Diazirine, 3-chloro-3-(4-methylphenyl)-
CAS No.:39184-65-1
Molecular Formula:C8H7ClN2
Molecular Weight:166.61
Hs Code.:
DSSTox Substance ID:DTXSID80451637
Nikkaji Number:J574.210B
Mol file:39184-65-1.mol

Synonyms:39184-65-1;3-Chloro-3-(p-tolyl)-3H-diazirine;3-chloro-3-(4-methylphenyl)diazirine;3H-Diazirine, 3-chloro-3-(4-methylphenyl)-;3-chloro-3-(4-methylphenyl)-3H-diazirine;DTXSID80451637

Suppliers and Price of 3H-Diazirine, 3-chloro-3-(4-methylphenyl)-

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

Total 3 raw suppliers

Chemical Property of 3H-Diazirine, 3-chloro-3-(4-methylphenyl)-

Chemical Property:

Boiling Point:221.2±50.0℃ (760 Torr)
Flash Point:87.6±30.1℃
PSA：24.72000
Density:1.30±0.1 g/cm3 (20 oC 760 Torr)
LogP:1.68110
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:166.0297759
Heavy Atom Count:11
Complexity:177

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2(N=N2)Cl

Technology Process of 3H-Diazirine, 3-chloro-3-(4-methylphenyl)-

There total 3 articles about 3H-Diazirine, 3-chloro-3-(4-methylphenyl)- 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: 56.0%

: 6326-27-8
p-methylbenzamidine hydrochloride

: 39184-65-1
3-chloro-3-(4-methylphenyl)diaziridine

Guidance literature:: With sodium hypochlorite; lithium chloride; sodium chloride; In dimethyl sulfoxide; pentane; at 0 ℃;
DOI:10.1021/jacs.1c06287

Reference yield:

: 49773-39-9
N-chloro-4-methyl-benzamidine

: 39184-65-1
3-chloro-3-(4-methylphenyl)diaziridine

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / t-BuOCl / CH₂Cl₂ / 24 h / 0 °C

2: LiBr / acetonitrile / 0.17 h / 20 °C

With tert-butylhypochlorite; lithium bromide; In dichloromethane; acetonitrile;
DOI:10.1021/jo060341g