136689-94-6

Name 3-(1H-TETRAZOL-5-YL)BENZALDEHYDE
CAS 136689-94-6
Molecular Formula C8H6N4O
MDL Number MFCD08669914
Molecular Weight 174.16
MOL File 136689-94-6.mol
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Chemical Properties

Melting point  196-198 °C
Boiling point  416.0±47.0 °C(Predicted)
density  1.400±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
pka 3.99±0.10(Predicted)
InChI 1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChIKey GWZICMAGCVWLAY-UHFFFAOYSA-N
SMILES [nH]1nnc(n1)c2cc(ccc2)C=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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