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6136-68-1

Name 3-ACETYLBENZONITRILE
CAS 6136-68-1
EINECS(EC#) 228-110-6
Molecular Formula C9H7NO
MDL Number MFCD00001806
Molecular Weight 145.16
MOL File 6136-68-1.mol
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Chemical Properties

Appearance Pale yellowish-orange to brown powder
Melting point  98-100 °C (lit.)
Boiling point  120 °C (5 mmHg)
density  1.1555 (rough estimate)
refractive index  1.4500 (estimate)
Fp  120°C/5mm
storage temp.  Sealed in dry,Room Temperature
solubility  4g/l
form  Powder
color  Pale yellow-orange to brown
Water Solubility  Insoluble in water.
Detection Methods HPLC,NMR
BRN  2079629
InChI InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey SBCFGFDAZCTSRH-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(C(C)=O)=C1
CAS DataBase Reference 6136-68-1(CAS DataBase Reference)

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 .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  3439
WGK Germany  3
Hazard Note  Harmful/Irritant
TSCA  T
HazardClass  6.1
PackingGroup  III
HS Code  29269090

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