2-Cyanobenzoic acid Structure

2-Cyanobenzoic acid

Chemical Properties

Melting point 212 °C (lit.)
Boiling point 341.9±25.0 °C(Predicted)
Density  1.32±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Sparingly), Methanol (Slightly)
form  Liquid or Low Melting Solid
pka pK1:3.14 (25°C)
color  Clear colorless to light yellow or white to pale yellow
InChI InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
InChIKey DTNSDCJFTHMDAK-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC=C1C#N
CAS DataBase Reference 3839-22-3(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H312-H315-H319-H332-H335
Precautionary statements P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36/37/39-36
RIDADR  3439
WGK Germany  3
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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2-Cyanobenzoic acid Chemical Properties,Usage,Production

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