5-(4-Methylphenyl)-1H-tetrazole - CAS 24994-04-5
Catalog: |
BB018689 |
Product Name: |
5-(4-Methylphenyl)-1H-tetrazole |
CAS: |
24994-04-5 |
Synonyms: |
5-(4-methylphenyl)-2H-tetrazole |
IUPAC Name: | 5-(4-methylphenyl)-2H-tetrazole |
Description: | 5-(4-Methylphenyl)-1H-tetrazole (CAS# 24994-04-5) is a useful research chemical. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | BCCJIAZPYBJASR-UHFFFAOYSA-N |
Boiling Point: | 334.5 ℃ at 760 mmHg |
Melting Point: | 250-253 ℃ |
Purity: | 95 % |
Density: | 1.241 g/cm3 |
Appearance: | White to off-white crystalline powder |
MDL: | MFCD01318164 |
LogP: | 1.17510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020255725-A1 | Surface treatment agent and method for manufacturing surface treatment body | 20190621 |
WO-2020202070-A1 | Method to detect and enumerate microorganisms | 20190405 |
US-2020062968-A1 | Surface treatment agent and surface treatment method | 20180827 |
US-10577327-B2 | Pyridine based ionic fluoride for catalyzing indole and tetrazole formation | 20180611 |
US-2019375711-A1 | Pyridine based ionic fluoride for catalyzing indole and tetrazole formation | 20180611 |
PMID | Publication Date | Title | Journal |
21577918 | 20090912 | 5-p-Tolyl-1H-tetra-zole | Acta crystallographica. Section E, Structure reports online |
16022526 | 20050725 | Syntheses, crystal structures, and luminescent properties of three novel zinc coordination polymers with tetrazolyl ligands | Inorganic chemistry |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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