Chemical Properties of 5,7-Dinitro-1-picrylbenzotrizole (CAS 50892-90-5)

5,7-Dinitro-1-picrylbenzotrizole

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H4N8O10/c21-16(22)5-1-7-11(8(2-5)18(25)26)15(14-13-7)12-9(19(27)28)3-6(17(23)24)4-10(12)20(29)30/h1-4H
InChI Key
SAWVDTHMLXLYJS-UHFFFAOYSA-N
Formula
C12H4N8O10
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2nnc3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)c([N+](=O)[O-])c1
Molecular Weight1
420.21
CAS
50892-90-5
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
Δcsolid -5594.00 ± 3.00 kJ/mol NIST
Δfsolid 300.00 ± 5.90 kJ/mol NIST
log10WS -7.71 Crippen Calculated Property
logPoct/wat 1.962 Crippen Calculated Property
McVol 234.300 ml/mol McGowan Calculated Property

Similar Compounds

Sophoramine. 5,6-Dihydrouracil riboside, TMS. Tazettine. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Tinctorine. Moexipril Me. inosine-5'-monophosphate, TMS. Hydroxy-N-methylcytisine. Moexipril desethyl 3Me (Moexprilate 3Me). xanthosine-5'-monophosphate, TMS. Benazepril Me. 4«alpha»-Angeloyloxy-3«beta»-hydroxylupanine. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Nomifensine M(HO-methoxy), diacetylated.

Find more compounds similar to 5,7-Dinitro-1-picrylbenzotrizole.

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.