57774-79-5

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57774-79-5 Structure

Identification	Back Directory
[Name] 4-Ethoxybenzenecarbothioamide
[CAS] 57774-79-5
[Synonyms] 4-Ethoxythiobenzamide 4-Ethoxybenzothioamide 4-Ethoxythiobenzamide, 97%, 4-ETHOXYBENZENECARBOTHIOAMIDE 4-ETHOXYBENZENE-1-CARBOTHIOAMIDE Benzenecarbothioamide, 4-ethoxy-
[Molecular Formula] C9H11NOS
[MDL Number] MFCD04629622
[MOL File] 57774-79-5.mol
[Molecular Weight] 181.25

Chemical Properties	Back Directory
[Melting point ] 160-164°C
[Boiling point ] 302.5±44.0 °C(Predicted)
[density ] 1.158±0.06 g/cm3(Predicted)
[form ] solid
[pka] 12.89±0.29(Predicted)
[InChI] 1S/C9H11NOS/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6H,2H2,1H3,(H2,10,12)
[InChIKey] AREJPGXIKMXBIQ-UHFFFAOYSA-N
[SMILES] NC(C1=CC=C(OCC)C=C1)=S

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H319
[Precautionary statements ] P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] 36
[Safety Statements ] 26
[WGK Germany ] 3
[HS Code ] 2930909899
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2

Hazard Information	Back Directory
[Synthesis Reference(s)] The Journal of Organic Chemistry, 41, p. 962, 1976 DOI: 10.1021/jo00868a013

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