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1736-72-7

1736-72-7 Structure

1736-72-7 Structure
IdentificationMore
[Name]

1-[4-(TRIFLUOROMETHYL)PHENYL]-2-THIOUREA
[CAS]

1736-72-7
[Synonyms]

1-[4-(TRIFLUOROMETHYL)PHENYL]-2-THIOUREA
4-(TRIFLUOROMETHYL)PHENYLTHIOUREA
N-[4-(TRIFLUOROMETHYL)PHENYL]THIOUREA
alpha,alpha,alpha-Trifluoro-p-tolylthiourea
à,à,à-trifluoro-p-tolylthiourea
1-[4-(Trifluoromethyl)phenyl]-2-thiourea 97%
1-[4-(Trifluoromethyl)phenyl]-2-thiourea97%
1-[4-(Trifluoromethyl)phenyl]thiourea
[Molecular Formula]

C8H7F3N2S
[MDL Number]

MFCD00041189
[Molecular Weight]

220.21
[MOL File]

1736-72-7.mol
Chemical PropertiesBack Directory
[Melting point ]

142-146 °C
[Boiling point ]

269.9±50.0 °C(Predicted)
[density ]

1.457±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.33±0.70(Predicted)
[color ]

Off-White to Pale Brown
[BRN ]

2695479
[InChI]

1S/C8H7F3N2S/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)
[InChIKey]

OWTDDZMFRLUBQI-UHFFFAOYSA-N
[SMILES]

NC(=S)Nc1ccc(cc1)C(F)(F)F
[CAS DataBase Reference]

1736-72-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

2811
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

[4-(Trifluoromethyl)phenyl]thiourea is a reagent used in the synthesis of pharmaceuticals such as thiourea analogs as inhibitors of UT-A and UT-B transporters as well as 2-aminothiazole sphingosine inhibitors.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N-[4-(Trifluoromethyl)phenyl]thiourea, 98%(1736-72-7)
[Sigma Aldrich]

1736-72-7(sigmaaldrich)
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