4-Chlorobenzoyl isothiocyanate

Base Information

Chemical Name:4-Chlorobenzoyl isothiocyanate
CAS No.:16794-67-5
Molecular Formula:C8H4ClNOS
Molecular Weight:197.645
Hs Code.:2930909090
European Community (EC) Number:670-489-9
NSC Number:29260
DSSTox Substance ID:DTXSID70283040
Nikkaji Number:J721.757I
Mol file:16794-67-5.mol

Synonyms:4-chlorobenzoyl isothiocyanate;16794-67-5;Benzoyl isothiocyanate,4-chloro-;NSC29260;p-Chlorbenzoylisothiocyanat;4-Chlorobenzoylisothiocyanate;4-Chlorobenzoyl-isothiocyanate;SCHEMBL199868;DTXSID70283040;HMS1787H13;MFCD00041104;NSC-29260;AKOS001058078;4-chloro-1-benzenecarbonyl isothiocyanate;BP-12891;BS-42139;FT-0637428;EN300-17613;A810923

Suppliers and Price of 4-Chlorobenzoyl 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-ChlorobenzoylIsothiocyanate
50mg
$ 45.00

TRC
4-ChlorobenzoylIsothiocyanate
500mg
$ 75.00

SynQuest Laboratories
4-Chlorobenzoyl isothiocyanate 98%
1 g
$ 58.00

American Custom Chemicals Corporation
4-CHLOROBENZOYL ISOTHIOCYANATE 95.00%
25G
$ 1278.59

American Custom Chemicals Corporation
4-CHLOROBENZOYL ISOTHIOCYANATE 95.00%
5G
$ 168.00

AK Scientific
4-Chlorobenzoylisothiocyanate
1g
$ 117.00

AHH
4-Chlorobenzoylisothiocyanate 98%
100g
$ 409.00

Total 26 raw suppliers

Chemical Property of 4-Chlorobenzoyl isothiocyanate

Chemical Property:

Vapor Pressure:0.00115mmHg at 25°C
Melting Point:45 °C
Refractive Index:1.606
Boiling Point:300 °C at 760 mmHg
Flash Point:135.2 °C
PSA：61.52000
Density:1.29 g/cm³
LogP:2.58300
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.9702126
Heavy Atom Count:12
Complexity:217

Purity/Quality:

97% ^*data from raw suppliers

4-ChlorobenzoylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi; C
Hazard Codes:Xi,C
Statements: 20/21/22-34
Safety Statements: 26-36/37/39

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)N=C=S)Cl

Technology Process of 4-Chlorobenzoyl isothiocyanate

There total 16 articles about 4-Chlorobenzoyl 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

: 122-01-0
4-chloro-benzoyl chloride

: 16794-67-5
p-chlorobenzoyl isothiocyanate

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

Reference yield: 90.0%

: 333-20-0
potassium thioacyanate

: 74-11-3
para-chlorobenzoic acid

: 16794-67-5
p-chlorobenzoyl isothiocyanate

Guidance literature:: para-chlorobenzoic acid; With trichloroisocyanuric acid; triphenylphosphine; In toluene; at 0 ℃; for 0.25h;

potassium thioacyanate; In toluene; at 0 - 20 ℃; for 0.583333h;
DOI:10.5562/cca2381

Reference yield: 85.0%

: 1147550-11-5
ammonium thiocyanate

: 74-11-3
para-chlorobenzoic acid

: 16794-67-5
p-chlorobenzoyl isothiocyanate

Guidance literature:: para-chlorobenzoic acid; With pyridine; 1,3,5-trichloro-2,4,6-triazine; In acetonitrile; at 20 ℃;

ammonium thiocyanate; In acetonitrile; at 20 ℃; for 0.75h;
DOI:10.2174/1570178615666180330155606