4-(1H-TETRAZOL-5-YL)BENZALDEHYDE
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4-(1H-TETRAZOL-5-YL)BENZALDEHYDE
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CAS No:
74815-22-8
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Formula:
C8H6N4O
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Chemical Name:
4-(1H-TETRAZOL-5-YL)BENZALDEHYDE
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Synonyms:
4-(1H-TETRAZOL-5-YL)BENZALDEHYDE;4-(2H-TETRAZOL-5-YL)-BENZALDEHYDE;4-(5-TETRAZOLYL)-BENZALDEHYDE;4-(Tetrtazole-5-yl)benzaldehyde;4-(1H-1,2,3,4-tetrazol-5-yl)benzaldehyde;4-(1H-Tetraazol-5-yl)benzaldehyde;4-(2H-1,2,3,4-tetrazol-5-yl)benzaldehyde;Benzaldehyde, 4-(2H-tetrazol-5-yl)-
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CAS No:
Characteristics
71.53000
0.67920
1.400±0.06 g/cm3
182-184 °C
409.0±47.0 °C(Predicted)
203.2ºC
n20/D 1.396(lit.)
3.78±0.10
Safety Information
III
IRRITANT
UN 1993 3/PG 2
3
22
S26; S36
Xn
|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:174.16
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:174.05416083
Monoisotopic Mass:174.05416083
Topological Polar Surface Area:71.5
Heavy Atom Count:13
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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