1-(4-Isothiocyanatophenyl)ethanone

Base Information

Chemical Name:1-(4-Isothiocyanatophenyl)ethanone
CAS No.:2131-57-9
Molecular Formula:C9H7NOS
Molecular Weight:177.227
Hs Code.:2930909090
European Community (EC) Number:670-498-8
NSC Number:51673
DSSTox Substance ID:DTXSID30287589
Nikkaji Number:J2.312.613C
Mol file:2131-57-9.mol

Synonyms:4-Acetylphenyl isothiocyanate;1-(4-Isothiocyanatophenyl)ethanone;2131-57-9;4-Acetylphenylisothiocyanate;1-(4-Isothiocyanatophenyl)ethan-1-one;NSC51673;Bromobenzyl-4-isothiocyanate;4'-isothiocyanatoacetophenone;4-acetylphenyl-isothiocyanate;Phenylisothiocyanate, 4-acetyl;SCHEMBL1308638;DTXSID30287589;BBL010019;MFCD00041100;NSC-51673;STK500364;?4-ACETYLPHENYL ISOTHIOCYANATE;1-(4-isothiocyanato-phenyl)-ethanone;1-(4-Isothiocyanatophenyl)ethanone #;AKOS000311517;ethanone, 1-(4-isothiocyanatophenyl)-;FS-3852;4-Acetylphenyl isothiocyanate, AldrichCPR;FT-0617409;EN300-01247;A815264;AJ-087/25124021;J-802125;Z56899102;InChI=1/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H

Suppliers and Price of 1-(4-Isothiocyanatophenyl)ethanone

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
1-(4-Isothiocyanatophenyl)ethanone
5mg
$ 60.00

TRC
1-(4-Isothiocyanatophenyl)ethanone
2.5mg
$ 45.00

SynQuest Laboratories
4-Acetylphenyl isothiocyanate 98%
5 g
$ 161.00

SynQuest Laboratories
4-Acetylphenyl isothiocyanate 98%
1 g
$ 68.00

Oakwood
4-Acetylphenylisothiocyanate 98%
5g
$ 35.00

Oakwood
4-Acetylphenylisothiocyanate 98%
1g
$ 10.00

Oakwood
4-Acetylphenylisothiocyanate 98%
25g
$ 95.00

Matrix Scientific
4-Acetylphenyl isothiocyanate 98%
5g
$ 77.00

Matrix Scientific
4-Acetylphenyl isothiocyanate 98%
25g
$ 342.00

American Custom Chemicals Corporation
4-ACETYLPHENYL ISOTHIOCYANATE 95.00%
5G
$ 1155.00

Total 26 raw suppliers

Chemical Property of 1-(4-Isothiocyanatophenyl)ethanone

Chemical Property:

Vapor Pressure:0.000335mmHg at 25°C
Melting Point:82 °C
Refractive Index:1.576
Boiling Point:319.6 °C at 760 mmHg
Flash Point:147.1 °C
PSA：61.52000
Density:1.11g/cm³
LogP:2.62350
Sensitive.:Lachrymatory
Water Solubility.:16.84mg/L(25 oC)
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.02483502
Heavy Atom Count:12
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Isothiocyanatophenyl)ethanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,C
Statements: 20/21/22-36/37/38-43-34
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Isothiocyanatophenyl)ethanone

There total 9 articles about 1-(4-Isothiocyanatophenyl)ethanone 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: 88.0%

: 87551-33-5
C₉H₉NOS₂

: 2131-57-9
1-(4-isothiocyanatophenyl)ethanone

Guidance literature:: With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine; In acetonitrile; Cooling with ice;
DOI:10.1080/00397910903219476

Reference yield: 86.0%

: 75-15-0,12122-00-8
carbon disulfide

: 99-92-3
p-aminobenzophenone

: 2131-57-9
1-(4-isothiocyanatophenyl)ethanone

Guidance literature:: carbon disulfide; p-aminobenzophenone; With potassium carbonate; In water; at 40 ℃; for 10h; Inert atmosphere;

With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; water; N,N-dimethyl-formamide; at 0 ℃; Inert atmosphere;

With sodium hydroxide; In dichloromethane; water; pH=11; Inert atmosphere;
DOI:10.3762/bjoc.8.6

Reference yield: 84.0%

: 41656-75-1
N-(4-acetylphenyl)formamide

: 2131-57-9
1-(4-isothiocyanatophenyl)ethanone

Guidance literature:: With bis(trichloromethyl) carbonate; sulfur; triethylamine; selenium; In dichloromethane; for 7h; Heating;
DOI:10.1080/00304940409355967