IUPAC Name: 4-fluoro-3-methylbenzoic acid
Empirical Formula: C8H7FO2
Molecular Weight: 154.1384g/mol
Structure of 4-Fluoro-3-methylbenzoic acid (CAS NO.403-15-6):
Index of Refraction: 1.532
Molar Refractivity: 38 cm3
Molar Volume: 122.4 cm3
Polarizability: 15.06×10-24cm3
Surface Tension: 43.3 dyne/cm
Density: 1.258 g/cm3
Flash Point: 114.9 °C
Enthalpy of Vaporization: 53.27 kJ/mol
Melting Point: 164-168 °C(lit.)
Boiling Point: 266.3 °C at 760 mmHg
Vapour Pressure: 0.00434 mmHg at 25°C
Physical Appearance: White to light yellow crystal powder
Product Categories: Fluorin-contained Benzoic acid series;C8;Carbonyl Compounds;Carboxylic Acids
Canonical SMILES: CC1=C(C=CC(=C1)C(=O)O)F
InChI: InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey: VOCCEVKUXUIHOI-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
4-Fluoro-3-methylbenzoic acid , its cas register number is 403-15-6. It also can be called Benzoic acid, 4-fluoro-3-methyl- ;
4-Fluoro-m-toluic acid . 4-Fluoro-3-methylbenzoic acid (CAS NO.403-15-6) is irritating to eyes, respiratory system and skin. So you should wear suitable protective clothing.
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