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3-Cyanophenol Structure

3-Cyanophenol

Chemical Properties

Melting point 78-81 °C(lit.)
Boiling point 222.38°C (rough estimate)
Density  1.1871 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  Inert atmosphere,Room Temperature
form  Crystalline Powder
pka 8.61(at 25℃)
color  Almost white to light brown
Water Solubility  Slightly soluble in water.
BRN  2041515
Henry's Law Constant 4.0×104 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKey SGHBRHKBCLLVCI-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(O)=C1
CAS DataBase Reference 873-62-1(CAS DataBase Reference)
NIST Chemistry Reference 3-Hydroxybenzoic acid nitrile(873-62-1)

Safety Information

Hazard Codes  Xn
Risk Statements  22-36/37/38-20/21/22
Safety Statements  26-36-45-36/37/39
RIDADR  3276
WGK Germany  2
Hazard Note  Harmful
HazardClass  6.1
PackingGroup  III
HS Code  29089990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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