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778-94-9

778-94-9 Structure

778-94-9 Structure
IdentificationMore
[Name]

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

778-94-9
[Synonyms]

2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE
4-CYANO-3-NITROBENZOTRIFLUORIDE
BUTTPARK 32\10-73
Benzonitrile, 2-nitro-4-(trifluoromethyl)-
2-Nitro-4-fluoromethylbenzonitrile
2-Nitro-4-trifluoromethylbenzotrile
4-Cyano-3-nitrobenzotrifluoride 99%
4-Cyano-3-nitrobenzotrifluoride99%
2-NITRO-4-TRIFLUOROMETHYLBENZONITRILE(3-NITRO-4-CYANOBENZOTRIFLUORIDE)
[EINECS(EC#)]

212-298-1
[Molecular Formula]

C8H3F3N2O2
[MDL Number]

MFCD00014684
[Molecular Weight]

216.12
[MOL File]

778-94-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline chunks
[Melting point ]

44-47 °C(lit.)
[Boiling point ]

156-158 °C18 mm Hg(lit.)
[density ]

1.5604 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[color ]

Low-melting
[BRN ]

1882259
[InChI]

InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
[InChIKey]

BQCWLXXZTCLGSZ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
[CAS DataBase Reference]

778-94-9(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Cyano-3-nitrobenzotrifluoride(778-94-9)
Safety DataBack Directory
[Hazard Codes ]

Xi,T,Xn
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Harmful
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

yellow crystalline chunks
[Uses]

2-Nitro-4-(trifluoromethyl)benzonitrile was used in the preparation of 2-nitro-4-(trifluoromethyl)benzaldehyde.
Spectrum DetailBack Directory
[Spectrum Detail]

2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE(778-94-9)1HNMR
2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE(778-94-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Nitro-4-(trifluoromethyl)benzonitrile, 99%(778-94-9)
[Alfa Aesar]

2-Nitro-4-(trifluoromethyl)benzonitrile, 98%(778-94-9)
[Sigma Aldrich]

778-94-9(sigmaaldrich)
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