ChemicalBook--->CAS DataBase List--->1060-92-0

1060-92-0

1060-92-0 Structure

1060-92-0 Structure
IdentificationBack Directory
[Name]

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
[CAS]

1060-92-0
[Synonyms]

Schreiner's Thiourea Catalyst
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea
N,N'-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea >
Thiourea, N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-
[Molecular Formula]

C17H8F12N2S
[MDL Number]

MFCD00829878
[MOL File]

1060-92-0.mol
[Molecular Weight]

500.305
Chemical PropertiesBack Directory
[Melting point ]

150.0 to 157.0 °C
[Boiling point ]

332.7±52.0 °C(Predicted)
[density ]

1.604±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder or crystals
[pka]

10.78±0.70(Predicted)
[color ]

White to Light yellow
[InChI]

1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)
[InChIKey]

RWXWQJYJWJNJNW-UHFFFAOYSA-N
[SMILES]

S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[WGK Germany ]

WGK 3
[HS Code ]

2930.90.2900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

Thiourea catalyst, also known as Schreiner′s Thiourea, is commonly used as a hydrogen-bond donor in the activation of carbonyls, nitroolefins, imines etc.
[General Description]

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[reaction suitability]

reagent type: catalyst
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea(1060-92-0)1HNMR
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