CAS No.652-32-4,2,3,5,6-TETRAFLUORO-4-METHYLBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	652-32-4
Name:	2,3,5,6-TETRAFLUORO-4-METHYLBENZOIC ACID

Formula:	C₈H₄F₄O₂
Molecular Weight:	208.112
Synonyms:	p-Toluic acid,2,3,5,6-tetrafluoro- (7CI,8CI);2,3,5,6-Tetrafluoro-4-methylbenzoic acid;2,3,5,6-Tetrafluoro-p-toluic acid;NSC 168718;
Density:	1.54 g/cm³
Melting Point:	173-175 °C
Boiling Point:	255.8 °C at 760 mmHg
Flash Point:	108.5 °C
Solubility:	81.1 mg/L at 25 °C in water
Appearance:	white to almost white crystals
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	26
PSA:	37.30000
LogP:	2.24960

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Specification

The IUPAC name of 2,3,5,6-Tetrafluoro-p-toluic acid is 2,3,5,6-tetrafluoro-4-methylbenzoic acid. With the CAS registry number 652-32-4, it is also named as p-Toluic acid, 2,3,5,6-tetrafluoro-. The product's categories are C8; Carbonyl Compounds; Carboxylic Acids. Besides, it is white to almost white crystals, which should be stored in sealed containers in a cool, dry place from oxidizing agents. In addition, its molecular formula is C₈H₄F₄O₂ and its molecular weight is 208.11.

The other characteristics of 2,3,5,6-Tetrafluoro-p-toluic acid can be summarized as: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 37.98 cm³; (14)Molar Volume: 135 cm³; (15)Surface Tension: 38 dyne/cm; (16)Density: 1.54 g/cm³; (17)Flash Point: 108.5 °C; (18)Melting Point: 173-175 °C; (19)Water Solubility: 81.1 mg/L at 25 °C; (20)Enthalpy of Vaporization: 52.12 kJ/mol; (21)Boiling Point: 255.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00822 mmHg at 25 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1c(C(=O)O)c(F)c(F)c(c1F)C
(2)InChI: InChI=1/C8H4F4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)
(3)InChIKey: COOULIOYEXBFDT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H4F4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)
(5)Std. InChIKey: COOULIOYEXBFDT-UHFFFAOYSA-N