3774-53-6

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3774-53-6 Structure

Identification	Back Directory
[Name] 4-HYDROXY-3-METHYLPHENYL THIOCYANATE
[CAS] 3774-53-6
[Synonyms] NSC 4470 NSC 7392 NSC 31040 4-Thiocyanato-O-cresol o-Cresol, 4-thiocyanato- 2-Methyl-4-(thiocyano)phenol 2-Methyl-4-thiocyanatophenol 4-Hydroxy-M-tolyl Thiocyanate 4-HYDROXY-3-METHYLPHENYL THIOCYATE 3-ethyl-4-hydroxyphenyl thiocyanate 4-HYDROXY-3-METHYLPHENYL THIOCYANATE Thiocyanicacid, 4-hydroxy-m-tolyl ester thiocyanic acid (4-hydroxy-3-methyl-phenyl) ester
[Molecular Formula] C8H7NOS
[MDL Number] MFCD00086627
[MOL File] 3774-53-6.mol
[Molecular Weight] 165.21

Chemical Properties	Back Directory
[Melting point ] 73-75°C
[storage temp. ] Sealed in dry,2-8°C
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Solid
[color ] Brownish-Yellow
[InChI] 1S/C8H7NOS/c1-6-4-7(11-5-9)2-3-8(6)10/h2-4,10H,1H3
[InChIKey] WEAMLHXSIBDPGN-UHFFFAOYSA-N
[SMILES] Cc1cc(SC#N)ccc1O

Safety Data	Back Directory
[Hazard Codes ] Xi,Xn
[Risk Statements ] 22
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[HS Code ] 2930909899
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Chemical Properties] Light Yellow Solid
[Uses] Intermediate in the preparation of various benzotriazoles
[Synthesis Reference(s)] Synthetic Communications, 22, p. 2741, 1992 DOI: 10.1080/00397919208021538

Spectrum Detail	Back Directory
[Spectrum Detail] 4-HYDROXY-3-METHYLPHENYL THIOCYANATE(3774-53-6)¹HNMR

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