778-94-9

Name 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE
CAS 778-94-9
EINECS(EC#) 212-298-1
Molecular Formula C8H3F3N2O2
MDL Number MFCD00014684
Molecular Weight 216.12
MOL File 778-94-9.mol
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Chemical Properties

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 Data

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

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