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1645-65-4

1645-65-4 Structure

1645-65-4 Structure
IdentificationMore
[Name]

4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
[CAS]

1645-65-4
[Synonyms]

1-ISOTHIOCYANATO-4-(TRIFLUOROMETHYL)BENZENE
4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
4-(Trifluoromethyl)phenyl thiocyanate
alpha,alpha,alpha-Trifluoro-p-tolyl isothiocyanate
p-Trifluoromethylphenyl isothiocyanate
à,à,à-trifluoro-p-tolyl isothiocyanate
isothiocyanic acid 4-(trifluoromethyl)phenyl ester
4-(TRIFLUOROMETHYL)BENZENE ISOCYANATE
4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE, 98+%
α,α,α-Trifluoro-p-tolyl isothiocyanate
[Molecular Formula]

C8H4F3NS
[MDL Number]

MFCD00039645
[Molecular Weight]

203.18
[MOL File]

1645-65-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow crystalline needles or chunks
[Melting point ]

39-43 °C(lit.)
[Boiling point ]

81 °C11 mm Hg(lit.)
[density ]

1.3395 (estimate)
[Fp ]

>230 °F
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

powder to lump
[color ]

White to Light yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

2693553
[InChI]

InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
[InChIKey]

DQEVDFQAYLIBRD-UHFFFAOYSA-N
[SMILES]

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

1645-65-4(CAS DataBase Reference)
[NIST Chemistry Reference]

P-trifluoromethylphenylisothiocyanate(1645-65-4)
Safety DataBack Directory
[Hazard Codes ]

C,Xi,T,Xn
[Risk Statements ]

R34:Causes burns.
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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) .
S22:Do not breathe dust .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Resp. Sens. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow crystalline needles or chunks
[Uses]

4-(Trifluoromethyl)phenyl isothiocyanate may be used in the synthesis of 6-[1-amino-3-(4-trifluoromethylphenyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It may also be used in the synthesis of photoinduced electron transfer (PET) sensors.
[Synthesis Reference(s)]

Tetrahedron Letters, 38, p. 1597, 1997 DOI: 10.1016/S0040-4039(97)00121-4
[General Description]

4-(Trifluoromethyl)phenyl isothiocyanate, also referred as p-trifluoromethylphenylisothiocyanate, is an isothiocyanate derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(1645-65-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Trifluoromethyl)phenyl isothiocyanate, 97%(1645-65-4)
[Alfa Aesar]

4-(Trifluoromethyl)phenyl isothiocyanate, 98+%(1645-65-4)
[Sigma Aldrich]

1645-65-4(sigmaaldrich)
[TCI AMERICA]

4-(Trifluoromethyl)phenyl Isothiocyanate,>97.0%(GC)(1645-65-4)
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