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Monosodium citrate

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Name

Monosodium citrate

EINECS 242-734-6
CAS No. 18996-35-5 Density N/A
PSA 134.96000 LogP -2.58320
Solubility Soluble in water. Insoluble in ethanol. Melting Point 212 °C(lit.)
Formula C6H7NaO7 Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 214.107 Flash Point 155.2 °C
Transport Information N/A Appearance white crystalline powder
Safety 22-24/25 Risk Codes 36
Molecular Structure Molecular Structure of 18996-35-5 (SODIUM DIHYDROGEN CITRATE) Hazard Symbols IrritantXi
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;

 

Monosodium citrate Consensus Reports

Reported in EPA TSCA Inventory.

Monosodium citrate 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.

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