9-Anthracenecarboxylic acid

Details:

1.Introduction of 723-62-6

9-Anthracenecarboxylic acid has CAS registry number of 723-62-6. It has synonyms of ms-anthracenecarboxylic acid, ms-anthroic acid, rarechem al bo 0004, anthracene-9-carboxylic acid, anthracene-10-carboxylic acid, AKOS MSC-0134, 9-AC, 9-carboxyanthracene. And it has wide range of applications of pharmaceutical intermediates, aromatic compounds, aromatic carboxylic acids, amides, anilides, anhydrides & salts, organic acids, absolute configuration determination (exciton chirality cd method), analytical chemistry, anthracenes, enantiomer excess & absolute configuration determination, exciton chirality cd method (for hydroxyl groups), chloride channel, carboxylic acids and anhydrides, analytical reagents, analytical/chromatography, biochemicals and reagents, building blocks, c13 to c42+, carbonyl compounds, carboxylic acids, chemical synthesis, derivatization reagents, derivatization reagents hplc, detection, fluorescence, fluorescent probes, labels, organic building blocks, particles and stains.

2.Properties of 723-62-6

ACD/LogP: 3.927
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.94
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 5.5): 5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 33.86
ACD/KOC (pH 7.4): 2.71
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
Polar Surface Area: 37.3?²
Index of Refraction: 1.74³
Molar Refractivity: 68.868 cm³
Molar Volume: 170.195 cm³
Polarizability: 27.301 10-24cm³
Surface Tension: 61.7360000610352 dyne/cm
Density: 1.306 g/cm³
Flash Point: 206.075 °C
Enthalpy of Vaporization: 76.854 kJ/mol
Boiling Point: 467.48 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 723-62-6

(1)InChI: InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
(2)InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O

4.Safety Information of 723-62-6

Hazard Codes: Xi,C,Xn
Risk Statements: 36/37/38-20/21/22
Safety Statements: 37/39-26-36
WGK Germany: 3
RTECS: CB8764000
Hazard Note: Corrosive
HS Code: 29163900