ChemicalBook--->CAS DataBase List--->57774-79-5

57774-79-5

57774-79-5 Structure

57774-79-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 41, p. 962, 1976 DOI: 10.1021/jo00868a013
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