Benzoic acid,2-acetyl-3,6-difluoro- supplier

Name
2-ACETYL-3,6-DIFLUOROBENZOIC ACID
EINECS
CAS No. 319457-34-6
Density 1.41 g/cm³
Solubility
Melting Point 83-88°C
Formula C₉H₆F₂O₃
Boiling Point 314.5 °C at 760 mmHg
Molecular Weight 200.14
Flash Point 144 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Acetyl-3,6-difluorobenzoicacid;2-acetyl-3,6-difluorobenzoic acid;Benzoic acid, 2-acetyl-3,6-difluoro-;
PSA 54.37000
LogP 1.86560

Benzoic acid,2-acetyl-3,6-difluoro- Specification

The Benzoic acid,2-acetyl-3,6-difluoro-, with the CAS registry number 319457-34-6, has the systematic name of 2-acetyl-3,6-difluorobenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₉H₆F₂O₃.

The characteristics of Benzoic acid,2-acetyl-3,6-difluoro- are as followings: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -2.4; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 43.19 cm³; (15)Molar Volume: 141.9 cm³; (16)Polarizability: 17.12×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 58.66 kJ/mol; (21)Boiling Point: 314.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000197 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(c(F)ccc1F)C(=O)C
(2)InChI: InChI=1/C9H6F2O3/c1-4(12)7-5(10)2-3-6(11)8(7)9(13)14/h2-3H,1H3,(H,13,14)
(3)InChIKey: IHGWIRJWNPNDTJ-UHFFFAOYAC

Product Name

2-ACETYL-3,6-DIFLUOROBENZOIC ACID

Benzoic acid,2-acetyl-3,6-difluoro- Specification

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