(E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine

Base Information

Chemical Name:(E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine
CAS No.:94213-23-7
Molecular Formula:C₉H₇Cl₂N₅
Molecular Weight:256.094
Hs Code.:
European Community (EC) Number:303-725-3,303-726-9,617-611-9
UNII:WZ570674RF
DSSTox Substance ID:DTXSID301162145
Nikkaji Number:J2.284.661B,J399.389B,J399.390F
Mol file:94213-23-7.mol

Synonyms:(E)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile;13W80

Suppliers and Price of (E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine

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
(2Z)-2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide
25mg
$ 365.00

Total 14 raw suppliers

Chemical Property of (E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine

Chemical Property:

Vapor Pressure:3.91E-08mmHg at 25°C
Boiling Point:445.6°Cat760mmHg
PKA:4.06±0.70(Predicted)
Flash Point:223.3°C
PSA：98.05000
Density:1.52g/cm³
LogP:2.89508
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:255.0078506
Heavy Atom Count:16
Complexity:352

Purity/Quality:

99%, ^*data from raw suppliers

(2Z)-2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N
Isomeric SMILES:C1=CC(=C(C(=C1)Cl)Cl)/C(=N\N=C(N)N)/C#N
Uses (2Z)-2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide has been identified as an impurity of Lamotrigine (L173250).

Technology Process of (E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine

There total 3 articles about (E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine 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: 67.0%

: 77668-42-9
2,3-dichlorobenzoyl cyanide

: 79-17-4
aminoguanidine

: 84689-20-3,94213-23-7
2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

Guidance literature:: With PPA; In 1,2-dimethoxyethane;

Reference yield: 24.0%

(E)-2-(2,3-dichlorophenyl)-2-(quanidinylimino) acetonitrile: (E)-2-(2,3-dichlorophenyl)-2-(quanidinylimino) acetonitrile

: 94213-24-8,94213-23-7
(E)-2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

Guidance literature:

Reference yield:

: 77668-42-9
2,3-dichlorobenzoyl cyanide

: 2582-30-1
aminoguanidine bicarbonate

: 84689-20-3,94213-23-7
2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

Guidance literature:: aminoguanidine bicarbonate; With sulfuric acid; toluene-4-sulfonic acid; In toluene; at 110 ℃; for 0.25h;

2,3-dichlorobenzoyl cyanide; In toluene; at 80 ℃; for 3.5h; Heating / reflux;