ChemicalBook--->CAS DataBase List--->136689-94-6

136689-94-6

136689-94-6 Structure

136689-94-6 Structure
IdentificationBack Directory
[Name]

3-(1H-TETRAZOL-5-YL)BENZALDEHYDE
[CAS]

136689-94-6
[Synonyms]

3-(1H-TETRAZOL-5-YL)BENZALDEHYDE
3-(2H-Tetrazol-5-yl)benzaldehyde
Benzaldehyde, 3-(2H-tetrazol-5-yl)-
3-(1H-1,2,3-tetrazol-5-yl)benzaldehyde
3-(2H-1,2,3,4-tetrazol-5-yl)benzaldehyde
[Molecular Formula]

C8H6N4O
[MDL Number]

MFCD08669914
[MOL File]

136689-94-6.mol
[Molecular Weight]

174.16
Chemical PropertiesBack Directory
[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 DataBack Directory
[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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