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2947-61-7

Name 4-Methylbenzyl cyanide
CAS 2947-61-7
EINECS(EC#) 220-963-2
Molecular Formula C9H9N
MDL Number MFCD00001922
Molecular Weight 131.17
MOL File 2947-61-7.mol
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Chemical Properties

Appearance Clear colorless to faintly yellow liquid
Melting point  18 °C(lit.)
Boiling point  242-243 °C(lit.)
density  0.992 g/mL at 25 °C(lit.)
refractive index  n20/D 1.519(lit.)
Fp  223 °F
storage temp.  Inert atmosphere,Room Temperature
form  Liquid
color  Clear colorless to faintly yellow
Specific Gravity 0.99
BRN  1099645
Exposure limits NIOSH: IDLH 25 mg/m3
InChI InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChIKey RNHKXHKUKJXLAU-UHFFFAOYSA-N
SMILES C1(CC#N)=CC=C(C)C=C1
CAS DataBase Reference 2947-61-7(CAS DataBase Reference)
NIST Chemistry Reference Benzeneacetonitrile, 4-methyl-(2947-61-7)

Safety Data

Hazard Codes  Xn
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 .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 3276 6.1/PG 3
WGK Germany  3
HazardClass  6.1
PackingGroup  III
HS Code  29269095

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