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542-02-9

542-02-9 Structure

542-02-9 Structure
IdentificationMore
[Name]

6-Methyl-1,3,5-triazine-2,4-diamine
[CAS]

542-02-9
[Synonyms]

2,4-DIAMINO-6-METHYL-1,3,5-TRIAZINE
6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE
ACETOGUANAMINE
1,3,5-Triazine-2,4-diamine,6-methyl-
2-Methyl-4,6-diamino-1,3,5-triazine
3,5-Triazine-2,4-diamine,6-methyl-1
5-triazine-2,4-diamine,6-methyl-3
6-methyl-1,3,5-triazine-2,4-diyldiamine
Aceto-guanamine monomer
6-Methyl-1,3,5-triazin-2,4-diyldiamin
2,4-Diamino-6-methyl-1,3,5-triazine, Acetoguanamine
4-Methyl-2,6-diamino-1,3,5-triazine
6-Methyl-s-triazine-2,4-diamine
[EINECS(EC#)]

208-796-3
[Molecular Formula]

C4H7N5
[MDL Number]

MFCD00023192
[Molecular Weight]

125.13
[MOL File]

542-02-9.mol
Chemical PropertiesBack Directory
[Appearance]

white solid
[Melting point ]

274-276 °C(lit.)
[Boiling point ]

443.0±28.0 °C(Predicted)
[density ]

1.391±0.06 g/cm3(Predicted)
[vapor pressure ]

1.2Pa at 25℃
[storage temp. ]

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

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

4.49±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Stable. Incompatible with oxidizing agents, acids.
[Water Solubility ]

11.2g/L at 20℃
[BRN ]

118348
[InChI]

1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
[InChIKey]

NJYZCEFQAIUHSD-UHFFFAOYSA-N
[SMILES]

Cc1nc(N)nc(N)n1
[LogP]

-0.88 at 20℃
[CAS DataBase Reference]

542-02-9(CAS DataBase Reference)
[EPA Substance Registry System]

542-02-9(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

kg of dicyandiamide (11.9 mol), 550 g of acetonitrile (13.4 mol), 220 g of potassium hydroxide (3.9 mol), 1.7 kg of isobutanol, and 1.3 kg of ethylene glycol were added to a reaction vessel. The mixture was gradually heated to an internal temperature of 120 °C with stirring, and the reaction was continued for 7 hours. After gradual cooling, the mixture was filtered. The filter cake was added to a mixture of 5 kg of isobutanol and 7 kg of water, heated to an internal temperature of 85 °C, and stirred for 30 minutes. After slow cooling, the mixture was filtered and dried to obtain 1.25 kg of 6-methyl-1,3,5-triazine-2,4-diamine, with a yield of 84.0%, a purity of 99.9%, and a water content of 0.21%.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Uses]

6-Methyl-1,3,5-triazine-2,4-diamine may be used in the synthesis of s-Bodipy-triazine (BODIPY = 4,4-difluoro-4-borata-3a-azonia-4a-aza-s-indacene). It is a symmetric fluorescent sensor for Cu2+.
[Definition]

ChEBI: A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying an additional methyl substituent at position 6.
[General Description]

6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate crystallizes with 6-methyl-1,3,5-triazine-2,4-diamine (DMT) and a molecule of butane-1,4-diol in the asymmetric unit. The DMT molecules form ribbons having centrosymmetric dimer motifs between DMT molecules along the c-axis. DMT and thymine forms a new metastable bicomponent hydrogel, which cage a number of organic solvents.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9)MS
6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9)1HNMR
6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9)13CNMR
6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9)IR1
6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,4-Diamino-6-methyl-1,3,5-triazine, 96%(542-02-9)
[Sigma Aldrich]

542-02-9(sigmaaldrich)
[TCI AMERICA]

2,4-Diamino-6-methyl-1,3,5-triazine,>98.0%(T)(542-02-9)
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