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Phosphinecarboxylicacid, 1,1-dihydroxy-, 1-oxide, sodium salt, hydrate (1:3:6) (34156-56-4)

Identification
Name:Phosphinecarboxylicacid, 1,1-dihydroxy-, 1-oxide, sodium salt, hydrate (1:3:6)
Synonyms:Formicacid, phosphono-, trisodium salt, hexahydrate (8CI);Phosphinecarboxylic acid,dihydroxy-, oxide, trisodium salt, hexahydrate (9CI);
CAS:34156-56-4
Molecular Formula: CH3O5P. 6H2O. 3Na
Molecular Weight: 300.042451
InChI: InChI=1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2/q;3*+1;;;;;;/p-3
Molecular Structure: (CH3O5P.6H2O.3Na) Formicacid, phosphono-, trisodium salt, hexahydrate (8CI);Phosphinecarboxylic acid,dihydroxy-, oxide...
Properties
Flash Point: 250.6ºC
Boiling Point: 490.7 ºC
Density:g/cm3
Water Solubility:H2O: 0.1 g/mL hot, clear, colorless
Solubility:H2O: 0.1 g/mL hot, clear, colorless
Specification:

The Phosphonoformic acid trisodium salt hexahydrate, with its CAS registry number 34156-56-4, has the IUPAC name of trisodium phosphonatoformate hexahydrate. When you store it, keep this chemical in the dry, cool and well-ventilated place.

The characteristics of Acid Brown 354 are as below: (1)ACD/LogP: -2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.28; (4)ACD/LogD (pH 7.4): -7.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 104.64; (13)Flash Point: 250.6 °C; (14)Enthalpy of Vaporization: 82.92 kJ/mol; (15)Boiling Point: 490.7 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-11 mmHg at 25°C; (17)Exact Mass: 299.981032; (18)MonoIsotopic Mass: 299.981032; (19)Topological Polar Surface Area: 109; (20)Heavy Atom Count: 16; (21)Complexity: 103.

When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may then cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(=O)([O-])P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2/q;3*+1;;;;;;/p-3
(3)InChIKey: ILRVASBWNRYBFD-UHFFFAOYSA-K 

Below are the toxicity informaiton of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intravenous > 810mg/kg (810mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 1927, 1997.
mouse LD50 intravenous 510mg/kg (510mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 1927, 1997.
rat LD50 intravenous 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 1927, 1997.

Flash Point: 250.6ºC
Safety Data
Hazard Symbols Xi:Irritant