ChemicalBook--->CAS DataBase List--->868-54-2

868-54-2

868-54-2 Structure

868-54-2 Structure
IdentificationMore
[Name]

2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE
[CAS]

868-54-2
[Synonyms]

2-AMINO-1,1,3-PROPENETRICARBONITRILE
2-AMINO-1,1,3-TRICYANO-1-PROPENE
2-AMINO-1,1,3-TRICYANOPROPENE
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE
2-AMINOPROP-1-ENE-1,1,3-TRICARBONITRILE
AURORA KA-6310
CYANOACETONITRILE DIMER
DICYANOMETHANE DIMER
MALODINITRILE DIMER
MALONIC DINITRILE DIMER
MALONONITRILE DIMER
1,1,3-tricyano-2-amino-1-propene
2-amino-1,1,3-prop-1-enecarbonitrile
2-amino-1-propene-1,1,3-tricapbonitrile
3-prop-1-enetricarbonitrile,2-amino-1
3-tricarbonitrile,2-amino-1-propene-1
2-Amino-1,1,3-trycino-1-propene
Aminotrycinopropene
3-aminoprop-1-ene-1,1,3-tricarbonitrile
2-Amino-1-propene-1,1,3-tricarbonitrile
2-Amino-1,1,3-tricyanopropene
Malononitrile dimer
[EINECS(EC#)]

212-777-5
[Molecular Formula]

C6H4N4
[MDL Number]

MFCD00001851
[Molecular Weight]

132.12
[MOL File]

868-54-2.mol
Chemical PropertiesBack Directory
[Appearance]

light pink to beige or light brownish
[Melting point ]

171-173 °C (lit.)
[Boiling point ]

234.02°C (rough estimate)
[density ]

1.262
[refractive index ]

1.7000 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder to crystal
[pka]

-2.92±0.70(Predicted)
[color ]

White to Gray to Brown
[Merck ]

480
[BRN ]

1756131
[InChI]

1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
[InChIKey]

BNHGNFYPZNDLAF-UHFFFAOYSA-N
[SMILES]

N\C(CC#N)=C(\C#N)C#N
[CAS DataBase Reference]

868-54-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3259 8/PG 3
[WGK Germany ]

3
[RTECS ]

UD2340000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

light pink to beige or light brownish
[Uses]

2-Amino-1,1,3-propenetricarbonitrile stimulates choline acetyltransferase activity in animals. A neurotrophic agent with potential therapeutic effect on cholinergic disorders.
[Biochem/physiol Actions]

2-Amino-1,1,3-propenetricarbonitrile is a key intermediate in synthesis of various heterocyclic compounds. 2-Amino-1,1-3-tricyanopropene undergoes condensation reaction with aromatic nitroso compounds to form useful coloring agents. 2-Amino-1,1-3-tricyanopropene reacts with 1,3-dithiole-derived polyenals to form push–pull systems with (Z)-geometry around the newly formed carbon-carbon double bond.
[Synthesis]

Malononitrile dimer is obtained from the base-catalyzed dimerization of malononitrile. It has been investigated as a potential precursor for new dyes but it has no current industrial significance.
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)MS
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)1HNMR
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)13CNMR
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)IR1
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)IR2
2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Amino-1-propene-1,1,3-tricarbonitrile, 97%(868-54-2)
[Sigma Aldrich]

868-54-2(sigmaaldrich)
[TCI AMERICA]

2-Amino-1,1,3-tricyano-1-propene,>98.0%(T)(868-54-2)
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