| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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. |
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