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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Isothiazole, 4-nitro-

[O-][N+](=O)c1csnc1 Request for Quotation
Chemical Name: Isothiazole, 4-nitro-
CAS Number: 931-07-7
Product Number: AG00GUZN(AGN-PC-0JKB9D)
Synonyms:
MDL No:
Molecular Formula: C3H2N2O2S
Molecular Weight: 130.12518

Identification/Properties

Computed Properties
Molecular Weight:
130.121g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
129.984g/mol
Monoisotopic Mass:
129.984g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
102
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Nitroisothiazole is a versatile compound commonly used in chemical synthesis as a key building block for various functional materials. In organic synthesis, 4-Nitroisothiazole is frequently employed as a precursor in the preparation of novel heterocyclic compounds with diverse applications. Its unique structure and reactivity make it an essential molecule in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Additionally, 4-Nitroisothiazole can serve as a useful intermediate in the development of new synthetic routes for the production of fine chemicals, making it a valuable tool for chemists and researchers in the field.