ChemicalBook--->CAS DataBase List--->23165-29-9

23165-29-9

23165-29-9 Structure

23165-29-9 Structure
IdentificationMore
[Name]

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

23165-29-9
[Synonyms]

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
3,5-DI(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID 3,5-BIS(TRIFLUOROMETHYL)PHENYL ESTER
3,5-Bis(trifuoromethyl)phenyl isothiocyanate
3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 99+%
3,5-Bis(trifluoromethyl)phenyl isothiocyanate 97%
3,5-Bis(trifluoromethyl)phenylisothiocyanate97%
[EINECS(EC#)]

629-347-1
[Molecular Formula]

C9H3F6NS
[MDL Number]

MFCD00040838
[Molecular Weight]

271.18
[MOL File]

23165-29-9.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Melting point ]

160℃
[Boiling point ]

63 °C1.5 mm Hg(lit.)
[density ]

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

n20/D 1.5(lit.)
[Fp ]

228 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

Liquid
[color ]

Clear yellow
[Specific Gravity]

1.485
[Water Solubility ]

Hydrolyzes in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

2990816
[InChI]

InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
[InChIKey]

FXOSSGVJGGNASE-UHFFFAOYSA-N
[SMILES]

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

23165-29-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

C,T,Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S22:Do not breathe dust .
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 ]

2810
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:
  • Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
  • Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
  • Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
  • Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.
[Synthesis]

Synthesis of 3,5-bis(trifluoromethyl)phenyl isothiocyanate: 3,5-bis(trifluoromethyl)-4-chloroaniline (25.8g, 132.3mmol), triethylenediamine (44.46g, 396.9mmol) and 135mL toluene were added to a 250mL three-necked flask, and dissolved by stirring at roo

Spectrum DetailBack Directory
[Spectrum Detail]

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9)MS
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9)1HNMR
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 99+%(23165-29-9)
[Alfa Aesar]

3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%(23165-29-9)
[Sigma Aldrich]

23165-29-9(sigmaaldrich)
[TCI AMERICA]

3,5-Bis(trifluoromethyl)phenyl Isothiocyanate,>98.0%(GC)(23165-29-9)
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