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4-(1H-Tetrazol-5-Yl)Benzaldehyde
[CAS# 462068-57-1]

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Identification
Name 4-(1H-Tetrazol-5-Yl)Benzaldehyde
Synonyms 4-(1H-1,2,3,4-Tetrazol-5-Yl)Benzaldehyde; 4-(1H-tetraazol-5-yl)benzaldehyde; 4-(2H-1,2,3,4-tetraazol-5-yl)benzaldehyde
Molecular Structure CAS#: 462068-57-1, 4-(1H-Tetrazol-5-Yl)Benzaldehyde
Molecular Formula C8H6N4O
Molecular Weight 174.16
CAS Registry Number 462068-57-1
SMILES C1=CC(=CC=C1C=O)C2=NN=NN2
InChI 1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChIKey SRGPTCYCHZMFOR-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 409.0±47.0°C at 760 mmHg (Cal.)
Flash point 203.2±35.7°C (Cal.)
Refractive index 1.667 (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
IRRITANT
SDS Available
References
(1) Massimiliano Massi, Mark I. Ogden, Tomoko Radomirovic and Franca Jones. Tetrazoles: a new class of compound for crystallization modification, CrystEngComm, 2010, 12, 4205.
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