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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)-

Benzene, 1-isothiocyanato-4-phenoxy-

S=C=Nc1ccc(cc1)Oc1ccccc1 Request for Quotation
Chemical Name: Benzene, 1-isothiocyanato-4-phenoxy-
CAS Number: 3529-87-1
Product Number: AG00C5OT(AGN-PC-0JMUOT)
Synonyms:
MDL No:
Molecular Formula: C13H9NOS
Molecular Weight: 227.2817

Identification/Properties

Properties
MP:
42 °C
BP:
143 °C(Press: 0.2 Torr)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
227.281g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
227.04g/mol
Monoisotopic Mass:
227.04g/mol
Topological Polar Surface Area:
53.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
249
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Phenoxyphenylisothiocyanate, also known as 4-POPITC, is a versatile chemical compound commonly used in chemical synthesis for various applications. One significant use of 4-POPITC is as a key building block in organic synthesis reactions, particularly in the creation of biologically active compounds. Its isothiocyanate functional group enables it to react with a wide range of nucleophiles, making it valuable for forming new carbon-nitrogen bonds in the development of pharmaceuticals, agrochemicals, and materials science. Additionally, 4-POPITC is employed in the preparation of luminescent materials, dyes, and fluorescent probes, showcasing its utility across different areas of chemistry. Its unique structure and reactivity make 4-Phenoxyphenylisothiocyanate an essential tool for researchers and chemists seeking to design and produce novel molecules with diverse functionalities.