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Phosphonoformic acid trisodium salt hexahydrate

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Name

Phosphonoformic acid trisodium salt hexahydrate

EINECS N/A
CAS No. 34156-56-4 Density N/A
PSA 168.51000 LogP -1.00200
Solubility Soluble in water. Melting Point N/A
Formula CH3O5P. 6H2O. 3Na Boiling Point 490.7 °C at 760 mmHg
Molecular Weight 300.04 Flash Point 250.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 34156-56-4 (Phosphonoformic acid trisodium salt hexahydrate) Hazard Symbols IrritantXi
Synonyms

Formicacid, phosphono-, trisodium salt, hexahydrate (8CI);Phosphinecarboxylic acid,dihydroxy-, oxide, trisodium salt, hexahydrate (9CI);

 

Phosphonoformic acid trisodium salt hexahydrate 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.

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