6097-27-4

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6097-27-4 Structure

Identification	Back Directory
[Name] 4-METHYLPHENACYL THIOCYANATE
[CAS] 6097-27-4
[Synonyms] 4-METHYLPHENACYL THIOCYANATE 4-METHYLPHENACYL THIOCYANATE, 95+% 2-(4-METHYLPHENYL)-2-OXOETHYL THIOCYANATE 2-(cyanosulfanyl)-1-(4-Methylphenyl)ethan-1-one thiocyanic acid [2-(4-methylphenyl)-2-oxoethyl] ester 4-(Thiocyanatoacetyl)toluene, 4-Methylphenacyl thiocyanate
[EINECS(EC#)] 604-604-1
[Molecular Formula] C10H9NOS
[MDL Number] MFCD00278207
[MOL File] 6097-27-4.mol
[Molecular Weight] 191.25

Chemical Properties	Back Directory
[Melting point ] 105-107
[Boiling point ] 352.2±25.0 °C(Predicted)
[density ] 1.187±0.06 g/cm3(Predicted)
[form ] solid
[InChI] 1S/C10H9NOS/c1-8-2-4-9(5-3-8)10(12)6-13-7-11/h2-5H,6H2,1H3
[InChIKey] DNOVVJFVCQZBBL-UHFFFAOYSA-N
[SMILES] Cc1ccc(cc1)C(=O)CSC#N

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P280-P305+P351+P338
[Hazard Codes ] Xi,Xn
[Risk Statements ] 22-43
[Safety Statements ] 36/37
[WGK Germany ] 3
[HazardClass ] IRRITANT
[HS Code ] 2930909899
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Definition] ChEBI: 2-(4-methylphenyl)-2-oxoethyl thiocyanate is an aromatic ketone.

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