176508-81-9

Name 4-Cyano-3-fluorobenzoic acid
CAS 176508-81-9
Molecular Formula C8H4FNO2
MDL Number MFCD03094324
Molecular Weight 165.12
MOL File 176508-81-9.mol
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Chemical Properties

Melting point  162.0 to 166.0 °C
Boiling point  335.7±27.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 3.20±0.10(Predicted)
color  White to Almost white
InChI 1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChIKey ZWKNDLMYSLLMRF-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(C#N)c(F)c1
CAS DataBase Reference 176508-81-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  3439
WGK Germany  3
Hazard Note  Irritant
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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