Chemical Properties of Imidazole-5-carbonitrile, 1-methyl-4-nitro- (CAS 40648-96-2)

Imidazole-5-carbonitrile, 1-methyl-4-nitro-

InChI
InChI=1S/C5H4N4O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,1H3
InChI Key
LXXDMPXVEZYDCI-UHFFFAOYSA-N
Formula
C5H4N4O2
SMILES
Cn1cnc([N+](=O)[O-])c1C#N
Molecular Weight1
152.11
CAS
40648-96-2
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5744 Relay (1.0) Calculated Property
ΔfG° 382.79 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 262.89 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 70.03 kJ/mol Relay (1.0) Calculated Property
IE 9.37 eV Relay (1.0) Calculated Property
log10WS -2.02 Relay (1.0) Calculated Property
logPoct/wat 0.200 Crippen Calculated Property
McVol 100.610 ml/mol McGowan Calculated Property
Pc 4148.64 kPa Relay (1.0-beta) Calculated Property
Tboil 555.96 K Relay (1.0) Calculated Property
Tc 823.58 K Relay (1.0) Calculated Property
Tfus 429.66 K Relay (1.0) Calculated Property
Vc 0.380 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Imidazole, 1-methyl-5-(methylsulfonyl)-4-nitro-. Imidazole, 5-(o-aminophenylthio)-1-methyl-4-nitro-. 1H-Imidazole, 5-chloro-1-methyl-4-nitro-. Imidazole-5-sulfonic acid,1-methyl-4-nitro-, sodium salt. Imidazole-4-carboxamide, 1-benzyl-5-(n-benzylformamido)-. Imidazol-5-yl,1-methyl-4-nitro-p-acetamidophenyl,sulfone. Imidazole-5-formamide, n,1-dibenzyl-4-(n-benzylformamido)-. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. «delta»1-tetrahydrocannabinolic acid, methyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. Zolpidem-M (HO-) isomer-2 AC. 1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-«beta»-D-ribofuranosyl-. 6-Tetrahydrocannabinol, 7-hydroxy, TBDMS. Mirtazapine-M (oxo-).

Find more compounds similar to Imidazole-5-carbonitrile, 1-methyl-4-nitro-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.