3-(2H-tetrazol-5-yl)benzaldehyde


Chemical Name: 3-(2H-tetrazol-5-yl)benzaldehyde
CAS Number: 136689-94-6
Product Number: AG00127N(AGN-PC-0N64X4)
Synonyms:
MDL No: MFCD18064602
Molecular Formula: C8H6N4O
Molecular Weight: 174.1594

Identification/Properties


Properties
MP:
196-198℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
174.163g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
174.054g/mol
Monoisotopic Mass:
174.054g/mol
Topological Polar Surface Area:
71.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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