SODIUM DIHYDROGEN CITRATE

Reported in EPA TSCA Inventory.

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.