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119192-09-5

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119192-09-5 Structure

119192-09-5 Structure
IdentificationMore
[Name]

1-(4-Nitrophenyl)methyl-1,2,4-triazole
[CAS]

119192-09-5
[Synonyms]

1-(4-NITROBENZYL)-1,2,4-TRIAZOLE
1-(4-NITROBENZYL)-1H-[1,2,4]TRIAZOLE
1-(4-NITROPHENYL)METHYL-1,2,4-TRIAZOLE
1-[(4-NITROPHENYL)METHYL]-1H-1,2,4-TRIAZOLE
1H-1-[(4-Aminophenyl)methyl][1,2,4]triazole
1H-1,2,4-Triazole,1-[(4-nitrophenyl)methyl]-
[Molecular Formula]

C9H8N4O2
[MDL Number]

MFCD03840588
[Molecular Weight]

204.19
[MOL File]

119192-09-5.mol
Chemical PropertiesBack Directory
[Melting point ]

100.0 to 104.0 °C
[Boiling point ]

433.4±47.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly)
[form ]

Solid
[pka]

2.46±0.10(Predicted)
[color ]

Light Yellow to Yellow
[InChI]

InChI=1S/C9H8N4O2/c14-13(15)9-3-1-8(2-4-9)5-12-7-10-6-11-12/h1-4,6-7H,5H2
[InChIKey]

NVRYCUYVBBCXHT-UHFFFAOYSA-N
[SMILES]

N1(CC2=CC=C([N+]([O-])=O)C=C2)C=NC=N1
[CAS DataBase Reference]

119192-09-5(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2933.99.9701
Hazard InformationBack Directory
[Uses]

1-(4-Nitrobenzyl)-1H-1,2,4-triazole is used in method for preparing Rizatriptan Benzoate intermediate.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

119192-09-5(sigmaaldrich)
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