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16681-68-8

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16681-68-8 Structure

16681-68-8 Structure
IdentificationBack Directory
[Name]

1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE
[CAS]

16681-68-8
[Synonyms]

Nsc20115
2h-triazole-4-carbaldehyde
v-Triazole-4-carboxaldehyde
1,2,3-triazole-4-carbaldehyde
1,2,3-triazole-4-carbaldehydes
1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE
1H-1,2,3-TRIAZOLE-4-CARBOXALDEHYDE
2H-1,2,3-Triazole-4-carboxaldehyde
1H-1,2,3-Triazole-5-carboxaldehyde
3-(4-chlorophenyl)-2-(dimethylamino)-3-oxopropanenitrile
[Molecular Formula]

C3H3N3O
[MDL Number]

MFCD06739016
[MOL File]

16681-68-8.mol
[Molecular Weight]

97.08
Chemical PropertiesBack Directory
[Melting point ]

141-142℃
[Boiling point ]

319.3±15.0 °C(Predicted)
[density ]

1.473±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Acetonitrile (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

6.99±0.70(Predicted)
[color ]

Pale Yellow to Yellow
[InChI]

InChI=1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)
[InChIKey]

MOLKLIYWXFEEJM-UHFFFAOYSA-N
[SMILES]

N1C(C=O)=CN=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P261-P264-P270-P280-P301+P312-P302+P352
[Risk Statements ]

43
[Safety Statements ]

36/37
[HS Code ]

29339900
Spectrum DetailBack Directory
[Spectrum Detail]

1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE(16681-68-8)1HNMR
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