Molecular Structure of Chloroxynil (CAS No.1891-95-8):

Molecular Formula: C₇H₃Cl₂NO
Molecular Weight: 188.01082 [g/mol]
IUPAC Name: 3,5-Dichloro-4-hydroxybenzonitrile 
CAS No: 1891-95-8
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 33.02 Å²
Index of Refraction: 1.628
Molar Refractivity: 42.5 cm³
Molar Volume: 119.6 cm³
Surface Tension: 67 dyne/cm
Density: 1.57 g/cm³
Flash Point: 109 °C
Enthalpy of Vaporization: 51.41 kJ/mol
Boiling Point: 256.6 °C at 760 mmHg
Vapour Pressure: 0.00947 mmHg at 25°C
InChI: InChI=1/C₇H₃Cl₂NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey: YRSSHOVRSMQULE-UHFFFAOYAM
Std. InChI: InChI=1S/C₇H₃Cl₂NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
Std. InChIKey: YRSSHOVRSMQULE-UHFFFAOYSA-N

Hazard Codes: T
Risk Statements: 23/24/25-36/37/38
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 2-13-45
S2:Keep out of the reach of children. 
S13:Keep away from food, drink and animal foodstuffs. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN3439
HazardClass: 6.1
PackingGroup: III

   Chloroxynil (CAS No.1891-95-8), it also can be called 3,5-Dichloro-4-hydroxybenzonitrile ; 4-Chloroanilidophosphonic acid ; Benzonitrile, 3,5-dichloro-4-hydroxy- .