4-Methylbenzoyl isothiocyanate

Base Information

Chemical Name:4-Methylbenzoyl isothiocyanate
CAS No.:16794-68-6
Molecular Formula:C9H7NOS
Molecular Weight:177.227
Hs Code.:2930909090
European Community (EC) Number:671-310-7
DSSTox Substance ID:DTXSID90168446
Nikkaji Number:J743.608D
Mol file:16794-68-6.mol

Synonyms:4-Methylbenzoyl isothiocyanate;16794-68-6;4-methyl-benzoyl isothiocyanate;4-Methylbenzoylisothiocyanate;Benzoyl isothiocyanate, 4-methyl-;Benzoyl isothiocyanate,4-methyl-;SCHEMBL2892447;DTXSID90168446;MFCD00060380;AKOS009076040;FS-4607;4-methyl-1-benzenecarbonyl isothiocyanate;BP-10694;FT-0637429;EN300-22227;A810924;J-010415

Suppliers and Price of 4-Methylbenzoyl isothiocyanate

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
4-MethylbenzoylIsothiocyanate
100mg
$ 60.00

TRC
4-MethylbenzoylIsothiocyanate
50mg
$ 45.00

TRC
4-MethylbenzoylIsothiocyanate
500mg
$ 75.00

SynQuest Laboratories
4-Methylbenzoyl isothiocyanate 98%
1 g
$ 66.00

SynQuest Laboratories
4-Methylbenzoyl isothiocyanate 98%
5 g
$ 157.00

Matrix Scientific
4-Methylbenzoyl isothiocyanate 98%
5g
$ 165.00

CHESS?
KH000278:4-METHYLBENZOYLISOTHIOCYANATE 95
1 g
$ 336.00

CHESS?
KH000278:4-METHYLBENZOYLISOTHIOCYANATE 95
5 g
$ 1020.00

American Custom Chemicals Corporation
4-METHYLBENZOYL ISOTHIOCYANATE 95.00%
5G
$ 895.13

AHH
4-Methylbenzoylisothiocyanate 98%
25g
$ 598.00

Total 10 raw suppliers

Chemical Property of 4-Methylbenzoyl isothiocyanate

Chemical Property:

Appearance/Colour:clear amber liquid
Vapor Pressure:0.00307mmHg at 25°C
Melting Point:100 ºC
Refractive Index:1.576
Boiling Point:283.9 °C at 760 mmHg
Flash Point:125.5 °C
PSA：61.52000
Density:1.11 g/cm³
LogP:2.23800
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.02483502
Heavy Atom Count:12
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

4-MethylbenzoylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)N=C=S

Technology Process of 4-Methylbenzoyl isothiocyanate

There total 14 articles about 4-Methylbenzoyl isothiocyanate 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: 100.0%

: 1147550-11-5
ammonium thiocyanate

: 874-60-2
4-methyl-benzoyl chloride

: 16794-68-6
4-methylbenzoyl isothiocyanate

Guidance literature:: With PEG-400; In ethyl acetate; at 20 ℃;
DOI:10.1080/10426500500366434

Reference yield: 100.0%

: ammonium thiocyanate

: 874-60-2
4-methyl-benzoyl chloride

: 16794-68-6
4-methylbenzoyl isothiocyanate

Guidance literature:: With PEG-400; In ethyl acetate; at 20 ℃;

Reference yield: 93.0%

: 1147550-11-5
ammonium thiocyanate

: C₁₄H₂₂O₂Si

: 16794-68-6
4-methylbenzoyl isothiocyanate

Guidance literature:: ammonium thiocyanate; With bromine; triphenylphosphine; In acetonitrile; at 20 ℃;

C₁₄H₂₂O₂Si; In acetonitrile; at 20 ℃;
DOI:10.1081/SCC-120014983