Thiocyanic acid, 3-methyl-2-nitrophenyl ester

Base Information

Chemical Name:Thiocyanic acid, 3-methyl-2-nitrophenyl ester
CAS No.:60310-08-9
Molecular Formula:C₈H₆N₂O₂S
Molecular Weight:194.214
Hs Code.:
DSSTox Substance ID:DTXSID801251957

Synonyms:Thiocyanic acid, 3-methyl-2-nitrophenyl ester;DTXSID801251957;60310-08-9

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

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Chemical Property of Thiocyanic acid, 3-methyl-2-nitrophenyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.01499861
Heavy Atom Count:13
Complexity:242

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)SC#N)[N+](=O)[O-]

Technology Process of Thiocyanic acid, 3-methyl-2-nitrophenyl ester

There total 6 articles about Thiocyanic acid, 3-methyl-2-nitrophenyl ester 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:

: 333-20-0
potassium thioacyanate

: 60310-08-9
3-methyl-2-nitro-phenyl thiocyanate

Guidance literature:: With cobalt chloride; water;

Reference yield:

: 5437-38-7
3-methyl-2-nitrobenzoic acid

: 60310-08-9
3-methyl-2-nitro-phenyl thiocyanate

Guidance literature:: Multi-step reaction with 4 steps

1: PCl₅

2: HCO₂NH₄

3: Br₂, aq. KOH

4: (i) NaNO₂, aq. H₂SO₄, (ii) /BRN= 3594799/, CoCl₂

With potassium hydroxide; phosphorus pentachloride; bromine; ammonium formate;
DOI:10.1002/hlca.19760590206

Reference yield:

: 60310-07-8
3-Methyl-2-nitrobenzenecarboxamide

: 60310-08-9
3-methyl-2-nitro-phenyl thiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: Br₂, aq. KOH

2: (i) NaNO₂, aq. H₂SO₄, (ii) /BRN= 3594799/, CoCl₂

With potassium hydroxide; bromine;
DOI:10.1002/hlca.19760590206