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| CAS No.: | 68915-31-1 |
|---|---|
| Name: | Sodium polyphosphate |
| Molecular Structure: | |
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| Formula: | Unspecified |
| Molecular Weight: | 496.82200 |
| Synonyms: | Sodium polyphosphate, amorphous;Glassy sodium phosphate;Grahamsches Salz;Natrium polymetaphosphat;Natrium polyphosphat;Sodium polyphosphates; |
| EINECS: | 272-808-3 |
| Density: | 1.25 |
| Appearance: | Colorless |
| PSA: | 548.04000 |
| LogP: | 3.02880 |
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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. |