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452-10-8

Basic Information
CAS No.: 452-10-8
Name: 2,4-Difluoroanisole
Article Data: 7
Molecular Structure:
Molecular Structure of 452-10-8 (2,4-Difluoroanisole)
Formula: C7H6F2O
Molecular Weight: 144.121
Synonyms: Anisole,2,4-difluoro- (8CI);2,4-Difluoroanisol;
Density: 1.182 g/cm3
Boiling Point: 155.8 °C at 760 mmHg
Flash Point: 51.1 °C
Solubility: insoluble in water
Appearance: Clear colourless to light yellow liquid
Hazard Symbols: IrritantXi, FlammableF, HarmfulXn
Risk Codes: 36/37/38-10
Safety: 7/9-16
Transport Information: UN 1993
PSA: 9.23000
LogP: 1.97340
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Chemistry

Molecule structure of 2,4-Difluoroanisole (CAS NO.452-10-8):

IUPAC Name: 2,4-Difluoro-1-methoxybenzene 
Molecular Weight: 144.118746 g/mol
Molecular Formula: C7H6F2
Density: 1.182 g/cm3 
Boiling Point: 155.8 °C at 760 mmHg 
Flash Point: 51.1 °C
Index of Refraction: 1.452
Molar Refractivity: 32.91 cm3
Molar Volume: 121.8 cm3
Polarizability: 13.05×10-24 cm3
Surface Tension: 27.1 dyne/cm
Enthalpy of Vaporization: 37.64 kJ/mol
Vapour Pressure: 3.84 mmHg at 25 °C 
Storage Temp.: flammables area
Water Solubility: insoluble
XLogP3: 2.2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 144.038671
MonoIsotopic Mass: 144.038671
Topological Polar Surface Area: 9.2
Heavy Atom Count: 10 
Complexity: 108
Canonical SMILES: COC1=C(C=C(C=C1)F)F
InChI: InChI=1S/C7H6F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey: CRMJLJFDPNJIQA-UHFFFAOYSA-N
Product Categories: Other fluorin-contained compounds; Aromatic Ethers; AnisoleSeries; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds

Uses

 2,4-Difluoroanisole (CAS NO.452-10-8) is used as intermediates of medicine, pesticide and liquid crystal materials.

Safety Profile

Hazard Codes: IrritantXi, FlammableF, HarmfulXn
Risk Statements: 36/37/38-10 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R10:Flammable.
Safety Statements: 7/9-16 
S7:Keep container tightly closed. 
S9:Keep container in a well-ventilated place. 
S16:Keep away from sources of ignition.
RIDADR: 1993
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III

Specification

 2,4-Difluoroanisole (CAS NO.452-10-8) is clear colourless to light yellow liquid.