3839-22-3

Name 2-CYANOBENZOIC ACID
CAS 3839-22-3
Molecular Formula C8H5NO2
MDL Number MFCD00045796
Molecular Weight 147.13
MOL File 3839-22-3.mol
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Chemical Properties

Appearance Off-white needles
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)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Danger
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 
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
RIDADR  3439
WGK Germany  3
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids

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