49561-96-8

Name 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE
CAS 49561-96-8
Molecular Formula C9H6F3NO
MDL Number MFCD00061240
Molecular Weight 201.15
MOL File 49561-96-8.mol
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Chemical Properties

Appearance clear yellow liquid
Melting point  30-33 °C(lit.)
Boiling point  96°C/4mmHg
density  1.28
refractive index  1.448-1.45
Fp  >230 °F
storage temp.  Store at room temperature
form  Liquid
color  Clear yellow
BRN  2643789
InChI 1S/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChIKey LYFCAROXYJTUQF-UHFFFAOYSA-N
SMILES FC(F)(F)Oc1ccc(CC#N)cc1
CAS DataBase Reference 49561-96-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,T,Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
RIDADR  3276
WGK Germany  3
Hazard Note  Toxic
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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