Product Name

  • Name

    3-FLUORO-4-METHOXYPHENYLACETONITRILE

  • EINECS
  • CAS No. 404-90-0
  • Article Data7
  • CAS DataBase
  • Density 1.148 g/cm3
  • Solubility
  • Melting Point 46-48°C
  • Formula C9H8 F N O
  • Boiling Point 270.6 °C at 760 mmHg
  • Molecular Weight 165.167
  • Flash Point 117.5 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 404-90-0 (3-FLUORO-4-METHOXYPHENYLACETONITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms Acetonitrile,(3-fluoro-4-methoxyphenyl)- (6CI,7CI,8CI)
  • PSA 33.02000
  • LogP 1.90038

3-Fluoro-4-methoxyphenylacetonitrile Chemical Properties

Molecular Structure of 3-Fluoro-4-methoxyphenylacetonitrile (CAS No.404-90-0):

Molecular Formula: C9H8FNO
Molecular Weight: 165.1643
CAS No: 404-90-0
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 33.02 Å2
Index of Refraction: 1.501
Molar Refractivity: 42.38 cm3
Molar Volume: 143.8 cm3
Surface Tension: 37.4 dyne/cm
Density: 1.148 g/cm3
Flash Point: 117.5 °C
Enthalpy of Vaporization: 50.88 kJ/mol
Boiling Point: 270.6 °C at 760 mmHg
Vapour Pressure: 0.00676 mmHg at 25°C
InChI: InChI=1/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChIKey: OFCMGCZEFVKTAN-UHFFFAOYAN
Std. InChI: InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
Std. InChIKey: OFCMGCZEFVKTAN-UHFFFAOYSA-N
IUPAC Name: 2-(3-Fluoro-4-methoxyphenyl)acetonitrile

3-Fluoro-4-methoxyphenylacetonitrile Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 20/21/22-36/37/38
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: 26-36/37/39
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.
RIDADR: 3439
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III

3-Fluoro-4-methoxyphenylacetonitrile Specification

   3-Fluoro-4-methoxyphenylacetonitrile (CAS No.404-90-0), its synonyms are 3-Fluoro-4-methoxybenzyl cyanide ; (3-Fluoro-4-methoxyphenyl)acetonitrile ; Benzeneacetonitrile, 3-fluoro-4-methoxy-  .

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