p-Tolunitrile Structure

p-Tolunitrile

Chemical Properties

Melting point 26-28 °C(lit.)
Boiling point 103-106 °C20 mm Hg(lit.)
Density  0.981 g/mL at 25 °C(lit.)
refractive index  1.5285-1.5305
Flash point 185 °F
storage temp.  Store below +30°C.
solubility  alcohol: very soluble
form  Viscous Liquid
color  Clear
Specific Gravity 0.981
Water Solubility  <0.1 g/100 mL at 17 ºC
Merck  14,9538
BRN  507386
Exposure limits NIOSH: IDLH 25 mg/m3
Stability Stable. Incompatible with strong oxidizing agents, strong bases.
InChI 1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)C#N
CAS DataBase Reference 104-85-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII H20555V8NO
NIST Chemistry Reference Benzonitrile, 4-methyl-(104-85-8)
EPA Substance Registry System p-Tolunitrile (104-85-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H303-H315-H319-H317-H335
Precautionary statements P501-P261-P272-P271-P264-P280-P302+P352-P312-P337+P313-P305+P351+P338-P362+P364-P333+P313-P304+P340+P312-P403+P233-P405
Hazard Codes  Xi
Risk Statements  36/37/38-43-36/38
Safety Statements  26-36/37-37-36
WGK Germany  2
RTECS  XV0700000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29269095
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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