1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole 1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole - CAS 57777-84-1
Catalog: |
BB029819 |
Product Name: |
1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole 1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole |
CAS: |
57777-84-1 |
Synonyms: |
1-(p-nitrobenzenesulfonyl)-1H-1,2,4-triazole; 1-(p-Nitrobenzolsulfonyl)-(1H)-1,2,4-triazol; p-Nitrobenzolsulfonyltriazolid; 1-(4-Nitrophenylsulfonyl)-1,2,4-triazole; p-NBST; ACMC-1AWKD; 1-[(4-nitrophenyl)sulphonyl]-1H-1,2,4-triazole; J-502820 |
IUPAC Name: | 1-(4-nitrophenyl)sulfonyl-1,2,4-triazole |
Description: | 1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole 1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-Triazole (CAS# 57777-84-1) is a useful research chemical. |
Molecular Weight: | 254.22 |
Molecular Formula: | C8H6N4O4S |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N2C=NC=N2 |
InChI: | InChI=1S/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H |
InChI Key: | HMNOLKQVFZCVIW-UHFFFAOYSA-N |
Boiling Point: | 506.4±52.0 °C (Predicted) |
Melting Point: | 140-142 °C |
Purity: | 98 % (HPLC) |
Density: | 1.490 g/mL |
MDL: | MFCD00079529 |
LogP: | 2.02730 |
Publication Number | Title | Priority Date |
JP-2021073513-A | A liquid crystal composition, a method for producing the same, and a retardation film composed of the liquid crystal composition. | 20210115 |
JP-2021152147-A | Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, retardation films, elliptical polarizing plates and organic EL display devices | 20200323 |
WO-2021193131-A1 | Polymerizable liquid crystal compound, polymerizable liquid crystal composition, phase difference film, elliptically polarizing plate and organic el display device | 20200323 |
JP-2021143329-A | Polymerizable liquid crystal compositions, retardation films, elliptical polarizing plates and optical displays | 20200311 |
WO-2021182280-A1 | Polymerizable liquid crystal composition, retardation film, elliptical polarizer and optical display | 20200311 |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.01097586 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.01097586 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 119 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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