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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Basic information

Product Name:
4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
Synonyms:
  • 4-(Trifluoromethyl)p
  • 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYATE
  • 1-ISOTHIOCYANATO-4-(TRIFLUOROMETHYL)BENZENE
  • 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
  • Isothiocyanic Acid 4-(Trifluoromethyl)phenyl Ester alpha,alpha,alpha-Trifluoro-p-tolyl Isothiocyanate
  • 4-Isothiocyanatobenzotrifluoride, 1-Isothiocyanato-4-(trifluoromethyl)benzene
  • 4-(Trifluoromethyl)phenyl isothiocyanate 97%
  • 4-(Trifluoromethyl)phenyl thiocyanate
CAS:
1645-65-4
MF:
C8H4F3NS
MW:
203.18
Product Categories:
  • COOR
  • Fluorine series
  • Fluorobenzene
  • Phenyl isocyanate&Phenyl isothiocyanate
  • Miscellaneous
  • Organic Building Blocks
  • Sulfur Compounds
  • Thiocyanates/Isothiocyanates
Mol File:
1645-65-4.mol
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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Chemical Properties

Melting point:
39-43 °C(lit.)
Boiling point:
81 °C11 mm Hg(lit.)
Density 
1.3395 (estimate)
Flash point:
>230 °F
form 
powder to lump
color 
White to Light yellow
Sensitive 
Moisture Sensitive
BRN 
2693553
InChIKey
DQEVDFQAYLIBRD-UHFFFAOYSA-N
CAS DataBase Reference
1645-65-4(CAS DataBase Reference)
NIST Chemistry Reference
P-trifluoromethylphenylisothiocyanate(1645-65-4)
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Safety Information

Hazard Codes 
C,Xi,T,Xn
Risk Statements 
34-42-36/37/38-20/21/22
Safety Statements 
26-36/37/39-45-22
RIDADR 
UN 3261 8/PG 2
WGK Germany 
3
Hazard Note 
Harmful/Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29309090

MSDS

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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Usage And Synthesis

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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