2,3-Diaminomaleonitrile

Base Information

• Chemical Name: 2,3-Diaminomaleonitrile
• CAS No.: 1187-42-4
• Deprecated CAS: 54414-88-9
• Molecular Formula: C4H4N4
• Molecular Weight: 108.103
• Hs Code.: 2926909090
• European Community (EC) Number: 214-697-6
• NSC Number: 266758
• UN Number: 2811
• UNII: E8C63N8TWR
• DSSTox Substance ID: DTXSID0024923
• Nikkaji Number: J38.151I
• Wikipedia: Diaminomaleonitrile
• Wikidata: Q21099121
• ChEMBL ID: CHEMBL1701646
• Mol file: 1187-42-4.mol

Synonyms:2-Butenedinitrile,2,3-diamino-, (Z)-;Maleonitrile, diamino- (6CI,7CI,8CI);(2Z)-2,3-Diamino-2-butenedinitrile;2,3-Diaminomaleonitrile;DAMN;2-Butenedinitrile,2,3-diamino-, (2Z)-;Hydrogen cyanide tetramer;

Chemical Property of 2,3-Diaminomaleonitrile

Chemical Property:

• Appearance/Colour: brown crystalline powder
• Vapor Pressure: 0.159mmHg at 25°C
• Melting Point: 178-179 °C
• Refractive Index: 1.6
• Boiling Point: 444.7 °C at 760 mmHg
• PKA: -2.77±0.70(Predicted)
• Flash Point: 222.7 °C
• PSA: 99.62000
• Density: 1.319 g/cm³
• LogP: 0.56316
• Water Solubility.: 5 g/L (25℃)
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 108.043596145
• Heavy Atom Count: 8
• Complexity: 183
• Transport DOT Label: Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: T:Toxic
• Statements: R25:
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(=C(C#N)N)N
• Isomeric SMILES: C(#N)/C(=C(\C#N)/N)/N

Technology Process of 2,3-Diaminomaleonitrile

There total 10 articles about 2,3-Diaminomaleonitrile 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: 99.2%

→ diaminomaleonitrile (1187-42-4)

Guidance literature:

Reference yield: 88.0%

2-hydroxy-2-methylpropanenitrile (75-86-5) → diaminomaleonitrile (1187-42-4)

Guidance literature:

With sodium cyanide; methylthiol; at 60 ℃; for 2h; Temperature; Time; Reagent/catalyst; Autoclave;

Reference yield: 68.0%

ethyl (Z)-N-(2-amino-1,2-dicyanovinyl)formamidate (129694-52-6) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-{[(Z)-2-amino-1,2-dicyanovinyl]amino}methyleneaminobenzoate (931424-12-3) + diaminomaleonitrile (1187-42-4)

Guidance literature:

aniline hydrochloride; In methanol; at 23 ℃; for 20h;

DOI:10.1002/jhet.5570440103

upstream raw materials:

hydrogen cyanide

potassium cyanide

ethanedinitrile

(E/Z)-α-iminoacetonitrile

Downstream raw materials:

N-((Z)-2-amino-1,2-dicyanoethenyl)acetamide

amino-(4-nitro-benzylidenamino)-maleonitrile

(2Z)-2-Amino-3-{[(1E)-(4-hydroxyphenyl)methylidene]-amino}but-2-enedinitrile

N-salicylidene-2,3-diamino-cis-2-butenedinitrile

Refernces

Synthesis, crystal structures, and nonlinear optical (nlo) properties of new schiff-base nickel(ll) complexes. toward a new type of molecular switch?

10.1021/ic048578n

The study focuses on the synthesis, crystal structures, and nonlinear optical (NLO) properties of new Schiff-base nickel(II) complexes. The main chemical used is an H2L Schiff-base ligand, obtained from the monocondensation of diaminomaleonitrile and 4-(diethylamino)salicylaldehyde, along with four related nickel(II) complexes formulated as [Ni(L)(L′)], where L′ represents various ligands such as MePhCHNH2, iPrNH2, Py, and PPh3. The purpose of these chemicals is to investigate the formation of a unique nickel amido bond through deprotonation and to explore the potential of these complexes as molecular switches in nonlinear optics due to their NLO properties. The study employs techniques like electric-field-induced second-harmonic (EFISH) to measure quadratic hyperpolarizability and ZINDO/SCI quantum chemical calculations to understand the orientation of hyperpolarizability in relation to laser wavelength, aiming to identify a new type of molecular switch based on the rotation of the NLO response rather than a reduction in its magnitude.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1187-42-4 2,3-Diaminomaleonitrile

Send

Send

Metric Ton KG G Pound L ML

Send

Send