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| CAS No.: | 877-24-7 |
|---|---|
| Name: | Potassium hydrogen phthalate |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6O4.K |
| Molecular Weight: | 204.224 |
| Synonyms: | 1,2-Benzenedicarboxylicacid, monopotassium salt (9Cl);Phthalic acid, monopotassium salt (8Cl);Hydrogen potassium phthalate;AI3-51765;Monopotassium 1,2-benzenedicarboxylate;Monopotassium phthalate;Potassium acid phthalate;Potassium biphthalate; |
| EINECS: | 212-889-4 |
| Density: | 1.006g/mLat 20°C |
| Melting Point: | 295-300 °C |
| Boiling Point: | 378.3 °C at 760 mmHg |
| Flash Point: | 196.7 °C |
| Solubility: | 80 g/L (20 °C) in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36/38-36/37/38-34 |
| Safety: | 26-36-24/25-22-45-36/37/39 |
| Transport Information: | UN 1789 8/PG 3 |
| PSA: | 77.43000 |
| LogP: | -0.25170 |
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- 877-24-7
potassium hydrogen phthalate
| Conditions | Yield |
|---|---|
| With water-d2 In water at 34.9℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In water mixed at 1:1 ratio, evapd.; recrystn.; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water | |
| With potassium hydroxide In water at 20℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol at 20℃; for 4h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 180 °C 2: potassium hydroxide / ethanol / 4 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| In water at 20℃; for 12h; | 100% |
| Conditions | Yield |
|---|---|
| In water byproducts: KCl; dissolving of (Co(NH3)6)Cl3 (1 equiv.) in hot water, addn. of potassium hydrogen phthalate (3 equiv.); slow cooling; crystn. for a few hours; filtration, crystn. from supernatant soln., combining of cryst.; drying in air; elem. anal.; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: benzene-1,2-dicarboxylic acid With trichloroisocyanuric acid; triphenylphosphine In dichloromethane at 0 - 20℃; Stage #2: potassium hydrogen phthalate In dichloromethane at 20℃; for 1h; | 95% |
- 877-24-7
potassium hydrogen phthalate
- 1408059-52-8
2-(2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethyl)isoindoline-1,3-dione
| Conditions | Yield |
|---|---|
| With sodium iodide In N,N-dimethyl-formamide at 80℃; | 94% |
| With sodium iodide In N,N-dimethyl-formamide at 80℃; | 5.7 g |
- 877-24-7
potassium hydrogen phthalate
- 6018-89-9
nickel(II) acetate tetrahydrate
- 822-36-6
4-Methylimidazole
| Conditions | Yield |
|---|---|
| In ethanol; water aq. soln. of Ni salt was added to warm soln. of K salt and 4-methylimidazole in EtOH; stirred under reflux for 1 h; filtered; washed (H2O, EtOH); dried in air; elem. anal.; | 90% |
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Specification
The Hydrogen potassium phthalate with CAS registry number of 877-24-7 is also known as 1,2-Benzenedicarboxylic acid, potassium salt (1:1). The IUPAC name is Potassium 2-carboxybenzoate. It belongs to product categories of Inorganic & Organic chemicals; Classes of Metal Compounds; K (Potassium) Compounds (excluding simple potassium salts); Typical Metal Compounds. Its EINECS registry number is 212-889-4. In addition, the formula is C8H6O4.K and the molecular weight is 204.22. This chemical is a white crystalline powder and shouold be sealed in cool ang dry place. What's more, it is used as analytical reagent and a buffering agent or sodium hydroxide.
Physical properties about Hydrogen potassium phthalate are: (1)ACD/LogP: 0.81; (2)ACD/LogD (pH 5.5): -1.98; (3)ACD/LogD (pH 7.4): -3.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 196.7 °C; (12)Enthalpy of Vaporization: 66.05 kJ/mol; (13)Boiling Point: 378.3 °C at 760 mmHg; (14)Vapour Pressure: 2.14E-06 mmHg at 25 °C.
Preparation of Hydrogen potassium phthalat. Firstly, potassium is dissolved in water and heated under stirring. Meanwhile, adding phthalic anhydride in multiple for 30 minutes. Secondly, the reaction solution is filtered, concentrated to saturation and cooled to room temperature. At last, product is obtained by crystallization and drying.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, It may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin, eyes and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]
2. InChI: InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
3. InChIKey: IWZKICVEHNUQTL-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, |