ChemicalBook--->CAS DataBase List--->85068-32-2

85068-32-2

85068-32-2 Structure

85068-32-2 Structure
IdentificationMore
[Name]

3,5-Bis(trifluoromethyl)phenylacetonitrile
[CAS]

85068-32-2
[Synonyms]

2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ACETONITRILE
2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETONITRILE
3,5-BIS(TRIFLUOROMETHYL)BENZYL CYANIDE
3,5-BIS(TRIFLUOROMETHYL)PHENYLACETONITRILE
3,5-DI(TRIFLUORO METHYL)BENZYL CYANIDE
3,5-Bis(Trifluoromethyl)Phenylacetonitrile/3,5-DoubleTrifluoroMethylPhenylacetonitrile
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
3,5-Bis(trifluoromethyl)phenylacetonitrile98%
3,5-Bis(trifluoromethyl)benzeneacetonitrile
[EINECS(EC#)]

285-294-0
[Molecular Formula]

C10H5F6N
[MDL Number]

MFCD00009904
[Molecular Weight]

253.14
[MOL File]

85068-32-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[Boiling point ]

195.4±35.0 °C(Predicted)
[density ]

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

n20/D 1.4234(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Difficult to mix.
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Specific Gravity]

1.420
[BRN ]

6810362
[InChI]

1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
[InChIKey]

YXGWYBUKRTYHJM-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1cc(CC#N)cc(c1)C(F)(F)F
[CAS DataBase Reference]

85068-32-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,C,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 ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->Tetrahydrofuran-->Dichloromethane-->Thionyl chloride-->Petroleum ether-->Sodium borohydride-->Dimethyl sulfoxide-->Calcium chloride-->Phosphorus tribromide-->Copper(I) Cyanide-->3,5-Bis(trifluoromethyl)benzoic acid-->SODIUM CYANOACETATE-->3,5-Bis(trifluoromethyl)chlorobenzene-->3,5-Bis(trifluoromethyl)bromobenzene-->Cyanoacetic acid
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to pale yellow liquid
[Uses]

3,5-Bis(trifluoromethyl)phenylacetonitrile may be used in chemical synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Bis(trifluoromethyl)phenylacetonitrile(85068-32-2)1HNMR
3,5-Bis(trifluoromethyl)phenylacetonitrile(85068-32-2)Raman
3,5-Bis(trifluoromethyl)phenylacetonitrile(85068-32-2)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Bis(trifluoromethyl)phenylacetonitrile, 97%(85068-32-2)
[Sigma Aldrich]

85068-32-2(sigmaaldrich)
[TCI AMERICA]

3,5-Bis(trifluoromethyl)phenylacetonitrile,>98.0%(GC)(85068-32-2)
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