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4231-62-3

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4231-62-3 Structure

4231-62-3 Structure

Identification	Back Directory
[Name] 1-BENZOYL-1H-BENZOTRIZOLE 97
[CAS] 4231-62-3
[Synonyms] 1-BENZOYL-1H-BENZOTRIZOLE 97 1-BENZOYL-1H-BENZOTRIZOLE, 97% 1-Benzoyl-1H-benzotriazole 97% Phenyl(1H-benzotriazole-1-yl) ketone Phenyl(1H-benzotriazole-1-yl)methanone Methanone, 1H-benzotriazol-1-ylphenyl- (1H-Benzo[d][1,2,3]triazol-1-yl)(phenyl)Methanone
[Molecular Formula] C13H9N3O
[MDL Number] MFCD00451114
[MOL File] 4231-62-3.mol
[Molecular Weight] 223.23

Chemical Properties	Back Directory
[Melting point ] 110-112 °C
[Boiling point ] 404.9±28.0 °C(Predicted)
[density ] 1.28±0.1 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[form ] solid
[pka] -0.40±0.30(Predicted)
[InChI] 1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
[InChIKey] UJEMOXPSTTXLRE-UHFFFAOYSA-N
[SMILES] O=C(c1ccccc1)n2nnc3ccccc23

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-36
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Uses] N-Acylbenzotriazoles from Aldrich: Neutral Acylating Reagents
[reaction suitability] reaction type: C-C Bond Formation

Spectrum Detail	Back Directory
[Spectrum Detail] 1-BENZOYL-1H-BENZOTRIZOLE 97(4231-62-3)MS 1-BENZOYL-1H-BENZOTRIZOLE 97(4231-62-3)IR1 1-BENZOYL-1H-BENZOTRIZOLE 97(4231-62-3)IR2

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