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614-16-4

Name Benzoylacetonitrile
CAS 614-16-4
EINECS(EC#) 210-369-1
Molecular Formula C9H7NO
MDL Number MFCD00001942
Molecular Weight 145.16
MOL File 614-16-4.mol

Chemical Properties

Appearance LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER
Melting point  82-83 °C (lit.)
Boiling point  160 °C/10 mmHg (lit.)
density  1.1555 (rough estimate)
refractive index  1.4500 (estimate)
Fp  159-160°C/10mm
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 7.78±0.10(Predicted)
color  Yellow to Dark Beige
Water Solubility  slightly soluble
Usage Used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics
BRN  386745
Exposure limits NIOSH: IDLH 25 mg/m3
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
CAS DataBase Reference 614-16-4(CAS DataBase Reference)
NIST Chemistry Reference «alpha»-Cyanoacetophenone(614-16-4)
EPA Substance Registry System 614-16-4(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
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 .
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 .
S22:Do not breathe dust .
RIDADR  3276
WGK Germany  3
Hazard Note  Harmful/Irritant
TSCA  Yes
HazardClass  IRRITANT
PackingGroup  III
HS Code  29269090

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