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| CAS No.: | 18996-35-5 |
|---|---|
| Name: | SODIUM DIHYDROGEN CITRATE |
| Molecular Structure: | |
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| Formula: | C6H7NaO7 |
| Molecular Weight: | 214.107 |
| Synonyms: | 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, monosodium salt (9CI);Citric acid, monosodium salt (8CI);Sodium citrate (NaC6H7O7) (6CI,7CI);Citrofluyl;Monosodium citrate;Monosodiumdihydrogen citrate;Sodium dihydrogen citrate; |
| EINECS: | 242-734-6 |
| Melting Point: | 212 °C(lit.) |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Solubility: | Soluble in water. Insoluble in ethanol. |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 22-24/25 |
| PSA: | 134.96000 |
| LogP: | -2.58320 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Monosodium citrate, with the CAS registry number 18996-35-5, is also known as 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:1). Its EINECS registry number is 242-734-6. This chemical's molecular formula is C6H7NaO7 and molecular weight is 214.10535. Its IUPAC name is called sodium 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate. This chemical's classification code is Buffers.
Physical properties of Monosodium citrate: (1)ACD/LogP: -1.72; (2)ACD/LogD (pH 5.5): -6.53; (3)ACD/LogD (pH 7.4): -7.46; (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: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 155.2 °C; (12)Enthalpy of Vaporization: 63.82 kJ/mol; (13)Boiling Point: 309.6 °C at 760 mmHg; (14)Vapour Pressure: 5.73E-05 mmHg at 25°C.
Preparation of Monosodium citrate: Monosodium citrate can be prepared by the direct reaction of sodium carbonate or bicarbonate with citric acid:
NaHCO3 (s) + C6H8O7 (aq) → NaC6H7O7 (aq) + CO2 (g) + H2O (l)
Since Monosodium citrate has two remaining open spots on the citrate anion, it is used as a relatively strong sequestrant. It is used to prevent platelet clumping in blood samples. It is one of the 3 citric acid salts.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. In addition, it is irritating to eyes. You should not breathe its dust. What's more, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.[Na+]
(2)InChI: InChI=1S/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1
(3)InChIKey: HWPKGOGLCKPRLZ-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1635mg/kg (1635mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948. |
| mouse | LD50 | intravenous | 49mg/kg (49mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948. |
| rabbit | LD50 | intravenous | 379mg/kg (379mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948. |
| rat | LD50 | intraperitoneal | 1348mg/kg (1348mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 65, 1948. |