1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole - CAS 74257-00-4
Catalog: |
BB035038 |
Product Name: |
1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole |
CAS: |
74257-00-4 |
Synonyms: |
MSNT 1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole; 1-(mesitylsulfonyl)-3-nitro-1h-1,2,4-triazole; MSNT; 1-(2,4,6-Trimethylphenylsulfonyl)-3-nitro-1,2,4-triazole; 3-nitro-1-(2,4,6-trimethylbenzenesulfonyl)-1H-1,2,4-triazole; Oprea1_756023; KSC491C8B; SCHEMBL216889 |
IUPAC Name: | 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole |
Description: | An efficient coupling reagent in oligonucleotide synthesis by the phosphotriesters approach. |
Molecular Weight: | 296.30 |
Molecular Formula: | C11H12N4O4S |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C |
InChI: | InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18,19)14-6-12-11(13-14)15(16)17/h4-6H,1-3H3 |
InChI Key: | SFYDWLYPIXHPML-UHFFFAOYSA-N |
Boiling Point: | 533.4±60.0 °C (Predicted) |
Melting Point: | 134-139 °C |
Purity: | 98 % |
Density: | 1.447 g/cm3 (Predicted) |
Solubility: | Slightly soluble in Chloroform (Heated), Methanol (Heated) |
Appearance: | Light yellow solid |
Storage: | -20 °C |
MDL: | MFCD00009754 |
LogP: | 2.95250 |
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 |
CN-112079893-A | Method for synthesizing text required by DNA storage based on solid phase chemical synthesis method | 20200923 |
WO-2021200259-A1 | Vipr2 antagonist peptide | 20200330 |
WO-2021167107-A1 | Human transferrin receptor binding peptide | 20200222 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021146488-A1 | 4'-o-methylene phosphonate nucleic acids and analogues thereof | 20200115 |
PMID | Publication Date | Title | Journal |
22273279 | 20120316 | 2'-Azido RNA, a versatile tool for chemical biology: synthesis, X-ray structure, siRNA applications, click labeling | ACS chemical biology |
21171007 | 20110103 | Chemical synthesis of site-specifically 2'-azido-modified RNA and potential applications for bioconjugation and RNA interference | Chembiochem : a European journal of chemical biology |
19593439 | 20090713 | Exploration of the one-bead one-compound methodology for the design of prolyl oligopeptidase substrates | PloS one |
16892380 | 20060401 | The potential of P1 site alterations in peptidomimetic protease inhibitors as suggested by virtual screening and explored by the use of C-C-coupling reagents | ChemMedChem |
15530125 | 20041101 | Functionalized cross-linked poly(vinyl alcohol) resins as reaction scavengers and as supports for solid-phase organic synthesis | Journal of combinatorial chemistry |
Complexity: | 460 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.05792605 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.05792605 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 119 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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