-
Name
Diclofenac potassium
- EINECS 239-348-5
- CAS No. 15307-81-0
- Article Data1
- CAS DataBase
- Density
- Solubility soluble in methanol and ethanol, slightly insoluble in water
- Melting Point 156-158oC
- Formula C14H10Cl2KNO2
- Boiling Point 412 °C at 760 mmHg
- Molecular Weight 334.243
- Flash Point 203 °C
- Transport Information
- Appearance White to yellowish crystalline powder
- Safety 61
- Risk Codes 22-51/53
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Molecular Structure
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Hazard Symbols
Xn
- Synonyms Aceticacid, [o-(2,6-dichloroanilino)phenyl]-, monopotassium salt (8CI);Benzeneaceticacid, 2-[(2,6-dichlorophenyl)amino]-, monopotassium salt (9CI);CGP 45840B;Cataflam;K-fenak;Potassium diclofenac;ProSorb;
- PSA 52.16000
- LogP 3.10240
Diclofenac Potassium Specification
The IUPAC name of Diclofenac Potassium is potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate. With the CAS registry number 15307-81-0, it is also named as Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monopotassium salt. The product's categories are Active Pharmaceutical Ingredients; Chiral; API's. It is white or off-white crystalline powder which is soluble in methanol and ethanol, slightly insoluble in water. What's more, this chemical is used as anti-inflammatory analgesic.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 32.53; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 174.87; (8)ACD/KOC (pH 7.4): 2.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 203 °C; (13)Enthalpy of Vaporization: 70.07 kJ/mol; (14)Boiling Point: 412 °C at 760 mmHg; (15)Vapour Pressure: 1.59E-07 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Exact Mass: 332.972566; (18)MonoIsotopic Mass: 332.972566; (19)Topological Polar Surface Area: 52.2; (20)Heavy Atom Count: 20; (21)Complexity: 310.
People can use the following data to convert to the molecule structure.
1. SMILES:[K+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O
2. InChI:InChI=1/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
3. InChIKey:KXZOIWWTXOCYKR-REWHXWOFAM
4. Std. InChI:InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
5. Std. InChIKey:KXZOIWWTXOCYKR-UHFFFAOYSA-M
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