ChemicalBook--->CAS DataBase List--->101066-87-9

101066-87-9

101066-87-9 Structure

101066-87-9 Structure
IdentificationBack Directory
[Name]

4-IODO-2-(TRIFLUOROMETHYL)BENZONITRILE
[CAS]

101066-87-9
[Synonyms]

2-Cyano-5-iodobenzotrifluoride
4-Iodo-2-(trifluoromethyl)benzonitrile
4-Cyano-3-(trifluoromethyl)iodobenzene
2-Cyano-5-iodobenzotrifluoride, 4-Iodo-alpha,alpha,alpha-trifluoro-o-tolunitrile
[Molecular Formula]

C8H3F3IN
[MDL Number]

MFCD08458091
[MOL File]

101066-87-9.mol
[Molecular Weight]

297.02
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

50-55 °C
[Boiling point ]

282.3±40.0 °C(Predicted)
[density ]

1.95±0.1 g/cm3(Predicted)
[Fp ]

110 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

Solid
[color ]

Light Yellow
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Light Sensitive
[InChI]

1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
[InChIKey]

RBRTXKYFMXVIER-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1cc(I)ccc1C#N
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-Iodo-2-(trifluoromethyl)benzonitrile is used as pharmaceutical intermediates
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36/37
[RIDADR ]

UN 3439 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

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

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

4-IODO-2-(TRIFLUOROMETHYL)BENZONITRILE (101066-87-9)1HNMR
4-IODO-2-(TRIFLUOROMETHYL)BENZONITRILE (101066-87-9)FT-IR
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