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4-Amino-2-(trifluoromethyl)benzonitrile Structure

4-Amino-2-(trifluoromethyl)benzonitrile

Chemical Properties

Melting point 141-145 °C(lit.)
Boiling point 294.5±40.0 °C(Predicted)
Density  1.37±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Sparingly), Methanol (Slightly)
pka 0.50±0.10(Predicted)
form  Powder
color  White to off-white
BRN  3278074
InChI InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChIKey PMDYLCUKSLBUHO-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(N)C=C1C(F)(F)F
CAS DataBase Reference 654-70-6(CAS DataBase Reference)
FDA UNII L47D9XHC08
NIST Chemistry Reference 5-Amino-2-cyanobenzotrifluoride(654-70-6)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302-H317
Precautionary statements P261-P264-P280-P301+P312+P330-P302+P352-P333+P313
Hazard Codes  Xn,T
Risk Statements  22-43-36/37/38-20/21/22
Safety Statements  36-45-37/39-26
RIDADR  3439
WGK Germany  3
Hazard Note  Toxic
HazardClass  6.1
PackingGroup  III
HS Code  29049090
NFPA 704:
1
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