Chemical Properties of 1H-1,2,4-Triazole, 3-nitro- (CAS 24807-55-4)

1H-1,2,4-Triazole, 3-nitro-

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InChI
InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
InChI Key
KUEFXPHXHHANKS-UHFFFAOYSA-N
Formula
C2H2N4O2
SMILES
O=[N+]([O-])c1nc[nH]n1
Molecular Weight1
114.06
CAS
24807-55-4
Other Names
  • s-Triazole, 3-nitro-
  • 3-Nitro-1,2,4-triazole
  • 3-Nitro-1H-1,2,4-triazole
  • 3-Nitro-4H-[1,2,4]triazole
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Physical Properties

Property Value Unit Source
ω 0.4893 Relay (1.0) Calculated Property
ΔfG° 321.59 kJ/mol Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas 217.36 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 63.69 kJ/mol Relay (1.0) Calculated Property
IE 10.33 eV Relay (1.0) Calculated Property
log10WS -1.39 Relay (1.0) Calculated Property
logPoct/wat -0.769 Crippen Calculated Property
McVol 66.940 ml/mol McGowan Calculated Property
Pc 6297.93 kPa Relay (1.0-beta) Calculated Property ⚠️
Tboil 530.82 K Relay (1.0) Calculated Property
Tc 789.60 K Relay (1.0) Calculated Property
Tfus 412.84 K Relay (1.0) Calculated Property
Vc 0.255 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Amino-s-triazole. 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro-. N-Nitro-1H-1,2,4-triazol-3-amine. 3-Picrylamino-1,2,4-triazole. 1H-1,2,4-Triazole, 3-chloro-. 1H-Imidazole, 4-nitro-. Pyridine, 4-[(s-triazol-3-yl-amino)methyl]-. 1H-1,2,4-Triazole. 2-Trimethylsilyl-3-trimethylsilylamino-1,2,4-triazole. Succinic acid, butyl 2-fluoro-5-nitrobenzyl ester. Imidazole, 4-nitro-5-(propylsulfonyl)-. 3-tert-Butyldimethylsilylamino-1,2,4-triazole. Imidazole, 5-(n-butylthio)-4-nitro-. Phenol, 2-[(1H-1,2,4-triazol-3-ylimino)methyl]-. Benzamide, N-ethyl-N-(3-methylphenyl)-2-trifluoromethyl-.

Find more compounds similar to 1H-1,2,4-Triazole, 3-nitro-.

Sources

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