CAS No.157652-31-8,3,4-DIFLUORO-2-METHYLBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157652-31-8
Name:	3,4-DIFLUORO-2-METHYLBENZOIC ACID
Article Data:	10

Formula:	C₈H₆F₂O₂
Molecular Weight:	172.131
Synonyms:	3,4-Difluoro-2-methylbenzoicacid;
Density:	1.359 g/cm³
Melting Point:	152-156℃
Boiling Point:	268 °C at 760 mmHg
Flash Point:	115.9 °C
Solubility:	Insoluble in water.
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	1.97140

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Specification

The Benzoic acid,3,4-difluoro-2-methyl-, with the CAS registry number 157652-31-8, is also known as 3,4-Difluoro-o-toluic acid. It belongs to the product categories of Fluorin-contained Benzoic Acid Series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₈H₆F₂O₂ and molecular weight is 172.13. Its systematic name is called 3,4-difluoro-2-methylbenzoic acid.

Physical properties of Benzoic acid,3,4-difluoro-2-methyl-: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.9; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.511; (11)Molar Refractivity: 37.99 cm³; (12)Molar Volume: 126.6 cm³; (13)Surface Tension: 41.4 dyne/cm; (14)Density: 1.359 g/cm³; (15)Flash Point: 115.9 °C; (16)Enthalpy of Vaporization: 53.46 kJ/mol; (17)Boiling Point: 268 °C at 760 mmHg; (18)Vapour Pressure: 0.00392 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(F)c1F)C(O)=O
(2)InChI: InChI=1/C8H6F2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: AGUUCAUQWFAFPR-UHFFFAOYAR