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36476-86-5

Name 1-Benzhydrylazetane-3-carbonitrile
CAS 36476-86-5
Molecular Formula C17H16N2
MDL Number MFCD00158910
Molecular Weight 248.32
MOL File 36476-86-5.mol
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Chemical Properties

Appearance White Solid
Melting point  150-153°C
Boiling point  384.3±42.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 5.61±0.10(Predicted)
color  White
Usage A proline analog and proline formation inhibitor
Stability: Good
InChI InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2
InChIKey IXMOEAHDRKNAAG-UHFFFAOYSA-N
SMILES N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(C#N)C1
CAS DataBase Reference 36476-86-5(CAS DataBase Reference)

Safety Data

Hazard Codes  C
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  3276
HazardClass  6.1
HazardClass  IRRITANT
HS Code  29339900

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