4-Cyanophenyl isothiocyanate

Base Information

Chemical Name:4-Cyanophenyl isothiocyanate
CAS No.:2719-32-6
Deprecated CAS:28176-29-6
Molecular Formula:C8H4N2S
Molecular Weight:160.199
Hs Code.:29309090
European Community (EC) Number:220-323-2
DSSTox Substance ID:DTXSID3062609
Nikkaji Number:J41.495F
Mol file:2719-32-6.mol

Synonyms:4-Cyanophenyl isothiocyanate;4-Isothiocyanatobenzonitrile;2719-32-6;p-Cyanophenyl isothiocyanate;Benzonitrile, 4-isothiocyanato-;4-cyanophenylisothiocyanate;4-Isothiocyanatobenzenenitrile;Benzenenitrile, 4-isothiocyanato-;EINECS 220-323-2;BRN 2802621;4-isothiocyanato-benzonitrile;C8H4N2S;4-Cyano-phenyl-isothiocyanate;ISOTHIOCYANIC ACID, p-CYANOPHENYL ESTER;4-Cyanophenyl isothiocyanate, 98%;3-14-00-01135 (Beilstein Handbook Reference);4cyanophenyl isothiocyanate;SCHEMBL786739;4-Isothiocyanatobenzonitrile #;DTXSID3062609;BCP20904;CK2523;GEO-03414;MFCD00041085;AKOS000212142;CS-W000364;BP-12808;LS-86408;C3169;FT-0618852;EN300-60955;A818950;J-016688;J-515609

Suppliers and Price of 4-Cyanophenyl 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
p-CyanophenylIsothiocyanate
25g
$ 970.00

TRC
p-CyanophenylIsothiocyanate
2.5g
$ 120.00

TCI Chemical
4-Cyanophenyl Isothiocyanate
5G
$ 95.00

SynQuest Laboratories
4-Cyanophenyl Isothiocyanate
1 g
$ 26.00

Oakwood
4-Cyanophenyl Isothiocyanate 98%
25g
$ 158.00

Oakwood
4-Cyanophenyl Isothiocyanate 98%
1g
$ 19.00

Oakwood
4-Cyanophenyl Isothiocyanate 98%
5g
$ 42.00

Matrix Scientific
4-Cyanophenyl Isothiocyanate 97%
100g
$ 720.00

Matrix Scientific
4-Cyanophenyl Isothiocyanate 97%
25g
$ 360.00

Alfa Aesar
4-Cyanophenyl isothiocyanate, 98%
5g
$ 69.60

Total 49 raw suppliers

Chemical Property of 4-Cyanophenyl isothiocyanate

Chemical Property:

Appearance/Colour:light yellow to beige crystalline powder
Vapor Pressure:0.000459mmHg at 25°C
Melting Point:119-123 °C(lit.)
Refractive Index:1.604
Boiling Point:314.683 °C at 760 mmHg
Flash Point:144.115 °C
PSA：68.24000
Density:1.121 g/cm³
LogP:2.29258
Storage Temp.:Keep Cold
Sensitive.:Lachrymatory
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.00951931
Heavy Atom Count:11
Complexity:214

Purity/Quality:

97% ^*data from raw suppliers

p-CyanophenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)N=C=S
Physical properties Solid-Powder
Uses p-Cyanophenyl Isothiocyanate is an synthetic isothiocyanate derivative with potential anti-NF-kB and anti-inflammatory activities.

Technology Process of 4-Cyanophenyl isothiocyanate

There total 16 articles about 4-Cyanophenyl 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: 93.0%

: 463-71-8
thiophosgene

: 873-74-5
4-Aminobenzonitrile

: 2719-32-6
4-isothiocyanatobenzonitrile

Guidance literature:: With sodium hydrogencarbonate; In chloroform;
DOI:10.1021/jm00125a019

Reference yield: 92.0%

: 58655-44-0
C₆H₁₅N*C₈H₆N₂S₂

: 2719-32-6
4-isothiocyanatobenzonitrile

Guidance literature:: With sodium hydrogencarbonate; tetrapropylammonium tribromide; In water; ethyl acetate; Cooling; Green chemistry;
DOI:10.17344/acsi.2017.3342

Reference yield: 91.0%

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

: 873-74-5
4-Aminobenzonitrile

: 2719-32-6
4-isothiocyanatobenzonitrile

Guidance literature:: carbon disulfide; 4-Aminobenzonitrile; 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