2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid supplier

Name
2-METHOXY-4,6-DI(TRIFLUOROMETHYL)BENZOIC ACID
EINECS
CAS No. 180134-15-0
Article Data1
CAS DataBase
Density 1.493 g/cm³
Solubility
Melting Point 156-159℃
Formula C₁₀H₆F₆O₃
Boiling Point 253.641 °C at 760 mmHg
Molecular Weight 288.146
Flash Point 107.199 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Bis(trifluoromethyl)-6-methoxybenzoic acid;
PSA 46.53000
LogP 3.43100

2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid Specification

This chemical is called Benzoic acid, 2-methoxy-4,6-bis(trifluoromethyl)-, and its CAS registry number is 180134-15-0. With the molecular formula of C₁₀H₆F₆O₃, its molecular weight is 288.14. Additionally, its product categories are Benzene Series; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het.

Other characteristics of the Benzoic acid, 2-methoxy-4,6-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.242; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.914; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 49.821 cm³; (14)Molar Volume: 192.986 cm³; (15)Polarizability: 19.751×10^-24cm³; (16)Surface Tension: 27.141 dyne/cm; (17)Density: 1.493 g/cm³; (18)Flash Point: 107.199 °C; (19)Enthalpy of Vaporization: 51.883 kJ/mol; (20)Boiling Point: 253.641 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(cc(c1C(=O)O)C(F)(F)F)C(F)(F)F
2.InChI: InChI=1/C10H6F6O3/c1-19-6-3-4(9(11,12)13)2-5(10(14,15)16)7(6)8(17)18/h2-3H,1H3,(H,17,18)
3.InChIKey: IIWWKGJYKXFWRG-UHFFFAOYAR

Product Name

2-METHOXY-4,6-DI(TRIFLUOROMETHYL)BENZOIC ACID

2-Methoxy-4,6-bis(trifluoromethyl)benzoic acid Specification

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