4-isothiocyanato-N-phenylaniline

Base Information

Chemical Name:4-isothiocyanato-N-phenylaniline
CAS No.:23246-36-8
Molecular Formula:C₁₃H₁₀N₂S
Molecular Weight:226.302
Hs Code.:
DSSTox Substance ID:DTXSID50877103
Nikkaji Number:J1.606.177H
Mol file:23246-36-8.mol

Synonyms:4-isothiocyanato-N-phenylaniline;23246-36-8;(4-isothiocyanatophenyl)phenylamine;4-isothiocyanodiphenyl amine;4-Anilinophenyl isothiocyanate;SCHEMBL11699033;DTXSID50877103;DEDBCNNOSGFINM-UHFFFAOYSA-N;MFCD03759880;STK164665;AKOS003304062;Benzenamine, 4-isothiocyanato-N-phenyl-;LS-04097;N-(4-isothiocyanatophenyl)-N-phenylamine

Suppliers and Price of 4-isothiocyanato-N-phenylaniline

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

Matrix Scientific
(4-Isothiocyanatophenyl)phenylamine
500mg
$ 237.00

American Custom Chemicals Corporation
(4-ISOTHIOCYANATOPHENYL)PHENYLAMINE 95.00%
5G
$ 1328.25

American Custom Chemicals Corporation
(4-ISOTHIOCYANATOPHENYL)PHENYLAMINE 95.00%
1G
$ 750.75

American Custom Chemicals Corporation
(4-ISOTHIOCYANATOPHENYL)PHENYLAMINE 95.00%
0.5G
$ 682.00

Total 6 raw suppliers

Chemical Property of 4-isothiocyanato-N-phenylaniline

Chemical Property:

Boiling Point:392.2±25.0 °C(Predicted)
PKA:-0.12±0.20(Predicted)
Density:1.11±0.1 g/cm3(Predicted)
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:226.05646950
Heavy Atom Count:16
Complexity:247

Purity/Quality:

98%min ^*data from raw suppliers

(4-Isothiocyanatophenyl)phenylamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C=S

Technology Process of 4-isothiocyanato-N-phenylaniline

There total 2 articles about 4-isothiocyanato-N-phenylaniline 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:

: 463-71-8
thiophosgene

: 2198-59-6
N-phenyl-p-phenylenediamine; hydrochloride

: 23246-36-8
(4-anilino)phenyl isothiocyanate

Guidance literature:: With sodium hydrogencarbonate; In chloroform; for 0.5h;
DOI:10.1016/S0960-894X(01)00102-0

Reference yield:

: 23246-36-8
(4-anilino)phenyl isothiocyanate

Guidance literature:

Reference yield: 84.0%

: 23246-36-8
(4-anilino)phenyl isothiocyanate

: 79-04-9
chloroacetyl chloride

: 105-34-0
methyl 2-cyanoacetate

: C₁₉H₁₅N₃O₃S

Guidance literature:: (4-anilino)phenyl isothiocyanate; methyl 2-cyanoacetate; With potassium hydroxide; In N,N-dimethyl-formamide; at 0 - 20 ℃;

chloroacetyl chloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 8h;