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Basic Information
CAS No.: 112857-68-8
Name: 2,4-DIFLUORO-3-METHYLBENZOIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 112857-68-8 (2,4-DIFLUORO-3-METHYLBENZOIC ACID)
Formula: C8H6 F2 O2
Molecular Weight: 172.131
Synonyms: 2,4-Difluoro-3-methylbenzoicacid
Density: 1.359g/cm3
Boiling Point: 253.1°Cat760mmHg
Flash Point: 106.9°C
Hazard Symbols: R36/37/38:;
Risk Codes: R36/37/38;
Safety:
Risk Statements 36/37/38
Safety Statements 26-36
PSA: 37.30000
LogP: 1.97140
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  • 2,4-Difluoro-3-methylbenzoic acid

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    2,4-Difluoro-3-methylbenzoic acid

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Chemistry

Following is the structure of 2,4-Difluoro-3-Methylbenzoic Acid (CAS NO.112857-68-8):
                       
Empirical Formula: C8H6F2O2
Molecular Weight: 172.1288 g/mol
Molar Refractivity: 37.99 cm3
Molar Volume: 126.6 cm3
Density: 1.359 g/cm3
Flash Point: 106.9 °C
Index of Refraction: 1.511
Surface Tension: 41.4 dyne/cm
Enthalpy of Vaporization: 51.82 kJ/mol
Boiling Point: 253.1 °C at 760 mmHg
Vapour Pressure of 2,4-Difluoro-3-Methylbenzoic Acid (CAS NO.112857-68-8): 0.00969 mmHg at 25 °C
Product Categories of 2,4-Difluoro-3-Methylbenzoic Acid (CAS NO.112857-68-8): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid
SMILES: Fc1ccc(C(O)=O)c(F)c1C
InChI: InChI=1/C8H6F2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey: OCJDCFUHHBCTFI-UHFFFAOYAX

Safety Profile

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.

Specification

 2,4-Difluoro-3-Methylbenzoic Acid , its cas register number is 112857-68-8. It also can be called Benzoic acid, 2,4-difluoro-3-methyl- .