42872-30-0

Name 2-(3-Benzoylphenyl)propionitrile
CAS 42872-30-0
EINECS(EC#) 255-982-5
Molecular Formula C16H13NO
MDL Number MFCD00044435
Molecular Weight 235.28
MOL File 42872-30-0.mol
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Chemical Properties

Melting point  47-53 °C(lit.)
Boiling point  400.8±28.0 °C(Predicted)
density  1.115±0.06 g/cm3(Predicted)
vapor pressure  10Pa at 20-50℃
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
color  White to Almost white
Major Application pharmaceutical (small molecule)
pharmaceutical
InChI InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
InChIKey RGYOCHMZSLUCNP-UHFFFAOYSA-N
SMILES C1(=CC=CC(C(C)C#N)=C1)C(=O)C1C=CC=CC=1
CAS DataBase Reference 42872-30-0(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  CY1693000
REACH Registrations Active
HS Code  29269090
Storage Class 11 - Combustible Solids

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