ChemicalBook--->CAS DataBase List--->1680-44-0

1680-44-0

1680-44-0 Structure

1680-44-0 Structure
IdentificationBack Directory
[Name]

5-PHENYL-1H-1,2,3-TRIAZOLE
[CAS]

1680-44-0
[Synonyms]

4-Phenyl triazole
4-phenyl-2H-triazole
5-phenyl-1H-triazole
v-Triazole, 4-phenyl-
5-PHENYL-1H-1,2,3-TRIAZOLE
4-phenyl-2H-1,2,3-triazole
4-Phenyl-1H-1,2,3-triazole
1H-1,2,3-Triazole, 5-phenyl-
[Molecular Formula]

C8H7N3
[MDL Number]

MFCD00760404
[MOL File]

1680-44-0.mol
[Molecular Weight]

145.16
Chemical PropertiesBack Directory
[Melting point ]

143-144 °C
[Boiling point ]

346.0±11.0 °C(Predicted)
[density ]

1.214±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

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

Solid
[pka]

8.40±0.70(Predicted)
[color ]

Pale Yellow to Pale Beige
[InChI]

InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
[InChIKey]

LUEYUHCBBXWTQT-UHFFFAOYSA-N
[SMILES]

N1C(C2=CC=CC=C2)=CN=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P280-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Phenyl-1H-1,2,3-triazole is an IDO1 inhibitor (IC50: 60 μM). 4-Phenyl-1H-1,2,3-triazole can be used for cancer research[1].
[References]

[1] R?hrig UF, et al. Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition. J Med Chem. 2012 Jun 14;55(11):5270-90. DOI:10.1021/jm300260v
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