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ChemicalBook--->CAS DataBase List--->16588-74-2

16588-74-2

16588-74-2 Structure

16588-74-2 Structure
IdentificationMore
[Name]

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE
[CAS]

16588-74-2
[Synonyms]

1-ISOCYANATO-3,5-BIS(TRIFLUOROMETHYL)BENZENE
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE
3,5-DI(TRIFLUOROMETHYL)PHENYLISOCYANATE
3,5-Bis(trifluoromethyl)phenyl isocyanate 97%
3,5-Bis(trifluoromethyl)phenylisocyanate97%
[Molecular Formula]

C9H3F6NO
[MDL Number]

MFCD00013559
[Molecular Weight]

255.12
[MOL File]

16588-74-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

62 °C (2 mmHg)
[density ]

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

n20/D 1.43(lit.)
[Fp ]

154 °F
[form ]

Liquid
[color ]

Clear colorless
[Water Solubility ]

Hydrolyzes with water.
[Sensitive ]

Moisture Sensitive
[BRN ]

542272
[CAS DataBase Reference]

16588-74-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

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

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291090
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

3,5-Bis(trifluoromethyl)phenyl isocyanate may be used in following studies:
  • Chemical derivatization of amino-functionalized model surfaces.
  • Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine.
  • Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene.
  • Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.
[Uses]

3,5-Bis(trifluoromethyl)phenyl isocyanate is used in Chemical derivatization of amino-functionalized model surfaces. Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine. Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2?-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene. Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE(16588-74-2)1HNMR
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE(16588-74-2)IR
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE(16588-74-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%(16588-74-2)
[Alfa Aesar]

3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%(16588-74-2)
[Sigma Aldrich]

16588-74-2(sigmaaldrich)
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