5-Hydroxydiclofenac supplier | CasNO.69002-84-2

Name
5-HYDROXY DICLOFENAC
EINECS
CAS No. 69002-84-2
Article Data10
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point 175-178?C
Formula C₁₄H₁₁Cl₂NO₃
Boiling Point 444.8 °C at 760 mmHg
Molecular Weight 312.152
Flash Point 222.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]-5-hydroxy-;2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid;(2-(2,6-Dichloroanilino)-5-hydroxyphenyl)acetic acid;Acetic acid, (2-(2,6-dichloroanilino)-5-hydroxyphenyl)-;
PSA 69.56000
LogP 4.14270

5-Hydroxydiclofenac Specification

The 5-Hydroxydiclofenac, with the CAS registry number 69002-84-2, is also known as Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-5-hydroxy-. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites; Pharmaceuticals; Steroids. This chemical's molecular formula is C₁₄H₁₁Cl₂NO₃ and formula weight is 312.15. What's more, its IUPAC name is 2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid. Its classification code is Drug/Therapeutic Agent. It is used as a metabolite of diclofenac, a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor.

Physical properties of 5-Hydroxydiclofenac are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 20.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.79; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 78.41 cm³; (15)Molar Volume: 205.2 cm³; (16)Surface Tension: 66.3 dyne/cm ; (17)Density: 1.52 g/cm³; (18)Flash Point: 222.8 °C; (19)Enthalpy of Vaporization: 74.06 kJ/mol ; (20)Boiling Point: 444.8 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl
(2)InChI: InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)
(3)InChIKey: VNQURRWYKFZKJZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	1430mg/kg (1430mg/kg)		Scandinavian Journal of Rheumatology.

Product Name

5-HYDROXY DICLOFENAC

5-Hydroxydiclofenac Specification

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