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698-29-3

698-29-3 Structure

698-29-3 Structure
IdentificationMore
[Name]

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE
[CAS]

698-29-3
[Synonyms]

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE
4-AMINO-5-CYANO-2-METHYLPYRIMIDINE
BUTTPARK 27\08-63
5-Pyrimidinecarbonitrile, 4-amino-2-methyl-(6CI,7CI,8CI,9CI)
2-Methyl-4-aminopyrimidine-5-carbonitrile
[EINECS(EC#)]

211-814-2
[Molecular Formula]

C6H6N4
[MDL Number]

MFCD00084875
[Molecular Weight]

134.14
[MOL File]

698-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

Pale-Yellow Crystalline Solid
[Melting point ]

249 °C
[Boiling point ]

315.6±27.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO, Ethanol, Methanol
[form ]

Powder
[pka]

3.00±0.10(Predicted)
[color ]

Pale yellow
[Water Solubility ]

Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol.
[InChI]

InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)
[InChIKey]

YBPNIILOUYAGIF-UHFFFAOYSA-N
[SMILES]

C1(C)=NC=C(C#N)C(N)=N1
[CAS DataBase Reference]

698-29-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[WGK Germany ]

WGK 1
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Acetamidine hydrochloride-->Ethoxymethylenemalononitrile-->Propanedinitrile, 2-[(acetyloxy)methylene]--->5-Pyrimidinecarbonitrile, 6-amino-1,4-dihydro-2-methyl--->Propanedinitrile, 2-[(diethylamino)methylene]--->(aminomethylene)malononitrile-->(Dimethylaminomethylene)malononitrile-->Acetamidine Base-->(methoxymethylene)malononitrile-->Methyl acetimidate hydrochloride-->Formaldehyde
[Preparation Products]

5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI)-->4-Pyrimidinamine, 2-methyl- (9CI)
Hazard InformationBack Directory
[Chemical Properties]

Pale-Yellow Crystalline Solid
[Uses]

4-Amino-5-cyano-2-methylpyrimidine is used as a pharmaceutical intermediate.
[Synthesis]

To a clean 20L reaction flask, add 5kg of water, 5kg of ethanol and mix well. Take solid sodium hydroxide 1.8kg, add to the system and stir for 30min. until completely dissolved. Cool down the ice bath to below 25 degrees Celsius, add 3.2kg of acetamidine
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE(698-29-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-amino-2-methylpyrimidine-5-carbonitrile(698-29-3)
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