m-Tolunitrile Structure

m-Tolunitrile

Chemical Properties

Melting point −23 °C(lit.)
Boiling point 99-101 °C20 mm Hg(lit.)
Density  0.976 g/mL at 25 °C(lit.)
refractive index  n20/D 1.525(lit.)
Flash point 188 °F
form  Liquid
color  Clear colorless to very slightly yellow
Water Solubility  <0.1 g/100 mL at 25 ºC
BRN  507391
Henry's Law Constant 1.7×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChIKey BOHCMQZJWOGWTA-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(C)=C1
CAS DataBase Reference 620-22-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII AH2J4VY1AK
NIST Chemistry Reference Benzonitrile, 3-methyl-(620-22-4)
EPA Substance Registry System m-Tolunitrile (620-22-4)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H303-H315-H319-H335-H227
Precautionary statements P501-P261-P210-P271-P264-P280-P302+P352-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38-36/38
Safety Statements  26-36/37/39-45-37-36
RIDADR  3276
WGK Germany  3
RTECS  XV0525000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29269095
Storage Class 10 - Combustible liquids
NFPA 704:
2
2 0

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