Catalog No.:AA00BXBJ

330-17-6 | 4-(Trifluoromethylthio)benzoic acid

Name: Name:4-(Trifluoromethylthio)benzoic acid
Brand: AABLOCKS
SKU: AA00BXBJ
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00BXBJ

Chemical Name:

4-(Trifluoromethylthio)benzoic acid

CAS Number:

330-17-6

Molecular Formula:

C8H5F3O2S

Molecular Weight:

222.1843

MDL Number:

MFCD00040906

SMILES:

OC(=O)c1ccc(cc1)SC(F)(F)F

Properties

Form:

Solid

MP:

159.5-162.5 °C

Stability:

Stench

Storage:

Room Temperature;Keep in dry area;

Computed Properties

Complexity:

209

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

3.9

Downstream Synthesis Route

332-26-3

330-17-6

[1]Jagupolssky;Marenez[ZhurnalObshcheiKhimii,1954,vol.24,p.887][J.Gen.Chem.USSR(Engl.Transl.),1954,vol.24,p.885,886]

352-68-1

330-17-6

[1]Sheppard,W.A.[JournalofOrganicChemistry,1964,vol.29,p.895-898]

330-17-6

74483-45-7

[1]Kaiser;Leonard;Heil;Lester;Tedeschi;Zirkle[Journalofmedicinalchemistry,1970,vol.13,#5,p.820-826]

330-17-6

79865-54-6

[1]Rakhimov,A.I.;Androsyuk,E.R.;Shelyazhenko,S.V.;Yagupol'skii,L.M.[JournalofOrganicChemistryUSSR(EnglishTranslation),1981,p.1470-1475][ZhurnalOrganicheskoiKhimii,1981,vol.17,#8,p.1652-1657]

88489-60-5

330-17-6

[1]Kondratenko,N.V.;Kolomeitsev,A.A.;Popov,V.I.;Il'chenko,A.Ya.;Korzhenevskaya,N.G.;etal.[JournalofgeneralchemistryoftheUSSR,1983,vol.53,#11,p.2254-2258][ZhurnalObshcheiKhimii,1983,vol.53,#11,p.2500-2505]

Literature

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