1-Phenylpyrazole - CAS 1126-00-7
Catalog: |
BB003004 |
Product Name: |
1-Phenylpyrazole |
CAS: |
1126-00-7 |
Synonyms: |
1-phenylpyrazole |
IUPAC Name: | 1-phenylpyrazole |
Description: | 1-Phenylpyrazole (CAS# 1126-00-7) is an intermediate used to prepare heterocyclic sulfonamide γ-secretase inhibitors. It is also used in the synthesis of a 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor. |
Molecular Weight: | 144.17 |
Molecular Formula: | C9H8N2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=CC=N2 |
InChI: | InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H |
InChI Key: | WITMXBRCQWOZPX-UHFFFAOYSA-N |
Boiling Point: | 141-142 ℃ (30 mmHg) |
Purity: | 97 % |
Density: | 1.09 g/cm3 |
Solubility: | Soluble in water. |
Appearance: | Clear yellow to brown liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00003112 |
LogP: | 1.87230 |
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 |
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PMID | Publication Date | Title | Journal |
22777213 | 20120914 | 1,12-diazaperylene and 2,11-dialkylated-1,12-diazaperylene iridium(III) complexes [Ir(C^N)2(N^N)]PF6: new supramolecular assemblies | Dalton transactions (Cambridge, England : 2003) |
22890507 | 20120828 | Cyclometallation of arylimines and nitrogen-containing heterocycles via room-temperature C-H bond activation with arene ruthenium(II) acetate complexes | Dalton transactions (Cambridge, England : 2003) |
22412527 | 20120301 | (2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22029396 | 20111121 | Long-lived room temperature deep-red/near-IR emissive intraligand triplet excited state (3IL) of naphthalimide in cyclometalated platinum(II) complexes and its application in upconversion | Inorganic chemistry |
21060953 | 20110107 | New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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