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438022

Sigma-Aldrich

1-(Methoxymethyl)-1H-benzotriazole

99%

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About This Item

Empirical Formula (Hill Notation):
C8H9N3O
CAS Number:
Molecular Weight:
163.18
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

assay

99%

form

solid

mp

42-43 °C (lit.)

functional group

ether

SMILES string

COCn1nnc2ccccc12

InChI

1S/C8H9N3O/c1-12-6-11-8-5-3-2-4-7(8)9-10-11/h2-5H,6H2,1H3

InChI key

QEIXBXXKTUNWDK-UHFFFAOYSA-N

Application

1-(Methoxymethyl)-1H-benzotriazole can be used:
  • As a model compound in the study of photoelectron spectra of benzotriazoles, which can help in understanding their chemical reactivity.[1]
  • To prepare a rhenium(IV) complex named [HMEBTA]2[ReIVBr6] having magnetic properties.[2]

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Structural chemistry of polycyclic heteroaromatic compounds. Part 10: photoelectron spectra and electronic structures of 1-substituted 1H-benzotriazoles
Rademacher P, et al.
Journal of Molecular Structure, 513(1-3), 47-62 (1999)
Self-assembly of the hexabromorhenate (IV) anion with protonated benzotriazoles: X-ray structure and magnetic properties
Martinez-Lillo J, et al.
Crystal Growth & Design, 14(11), 5985-5990 (2014)

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