ChemicalBook--->CAS DataBase List--->64285-95-6

64285-95-6

64285-95-6 Structure

64285-95-6 Structure
IdentificationMore
[Name]

4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE
[CAS]

64285-95-6
[Synonyms]

4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE
4-(Trifluoromethoxy)phenyl isothiocyanate 97%
4-(Trifluoromethoxy)phenylisothiocyanate97%
[EINECS(EC#)]

628-314-9
[Molecular Formula]

C8H4F3NOS
[MDL Number]

MFCD00042412
[Molecular Weight]

219.18
[MOL File]

64285-95-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

215-218 °C(lit.)
[density ]

1.35 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.541(lit.)
[Fp ]

225 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Colorless
[Sensitive ]

Moisture Sensitive
[λmax]

348nm(DMF)(lit.)
[InChI]

InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H
[InChIKey]

JKSZUQPHKOPVHF-UHFFFAOYSA-N
[SMILES]

C1(N=C=S)=CC=C(OC(F)(F)F)C=C1
[CAS DataBase Reference]

64285-95-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1760 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

8
[HazardClass ]

IRRITANT
[PackingGroup ]

II
[HS Code ]

29309090
Hazard InformationBack Directory
[Uses]

4-(Trifluoromethoxy)phenyl Isothiocyanate is used as a reagent in the synthesis of thiourea and thioether derivatives of Sorafenib (S676850) which can exhibit antiproliferative, anticancer, anticonvulsant, and anti-angiogenesis activities.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE(64285-95-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(trifluoromethoxy)phenyl isothiocyanate(64285-95-6)
[Sigma Aldrich]

64285-95-6(sigmaaldrich)
64285-95-6 suppliers list
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