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Sodium polyphosphate

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Name

Sodium polyphosphate

EINECS 272-808-3
CAS No. 68915-31-1 Density 1.25
Solubility Melting Point
Formula Unspecified Boiling Point
Molecular Weight 496.82200 Flash Point
Transport Information Appearance Colorless
Safety Risk Codes
Molecular Structure Molecular Structure of 68915-31-1 (Sodium polyphosphate) Hazard Symbols
Synonyms

Sodium polyphosphate, amorphous;Glassy sodium phosphate;Grahamsches Salz;Natrium polymetaphosphat;Natrium polyphosphat;Sodium polyphosphates;

 

Sodium polyphosphate Specification

The Disodium dihydrogen diphosphate, with the CAS registry number 68915-31-1, is also known as Phosphonate, oxybis-, disodium salt. Its EINECS number is 272-808-3. This chemical's molecular formula is H2Na2O7P2 and formula weight is 221.94. What's more, its IUPAC name is disodium [hydroxy(oxido)phosphoryl] hydrogen phosphate. Its classification code is TSCA UVCB. It should be sealed and stored in cool and dry place and be protected from strong oxidizers.

Physical properties of Disodium dihydrogen diphosphate are: (1)ACD/LogP: -3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.96; (4)ACD/LogD (pH 7.4): -8.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 121.91 Å2; (11)Topological Polar Surface Area: 130; (12)Heavy Atom Count: 11; (13)Complexity: 143; (14)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+
(2)InChI: InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
(3)InChIKey: GYQBBRRVRKFJRG-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Pharmacology and Toxicology Vol. 64, Pg. 247, 1989.
mouse LD50 oral 7572mg/kg (7572mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Toxicology Letters. Vol. 31(Suppl), Pg. 44, 1986.
rat LD50 oral 3053mg/kg (3053mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Toxicology Letters. Vol. 31(Suppl), Pg. 44, 1986.

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