Sulfuric acid copper(2+) salt (1:1), reaction products with boric acid (H3BO3), sodium phosphate and zinc oxide
- Iupac Name：copper;trisodium;zinc;boric acid;oxygen(2-);phosphate;sulfate
- CAS No.: 68585-51-3
- Molecular Weight：466.751
- Modify Date.: 2023-02-12 05:34
1. Names and Identifiers
- 1.1 Name
- Sulfuric acid copper(2+) salt (1:1), reaction products with boric acid (H3BO3), sodium phosphate and zinc oxide
- 1.2 Synonyms
271-558-2 copper(2+) ion zinc(2+) ion trisodium boric acid oxidandiide sulfate phosphate IN001490 phosphoric acid, monosodium salt, phosphoric acid, disodium salt, zinc oxide, boric acid, copper sulfate fusion product
- 1.3 CAS No.
- 68585-51-3
- 1.4 CID
- 172258
- 1.5 EINECS(EC#)
- 271-558-2
- 1.6 Molecular Formula
- BCuH3Na3O12PSZn (isomer)
- 1.7 Inchi
- InChI=1S/BH3O3.Cu.3Na.H3O4P.H2O4S.O.Zn/c2-1(3)4;;;;;2*1-5(2,3)4;;/h2-4H;;;;;(H3,1,2,3,4);(H2,1,2,3,4);;/q;+2;3*+1;;;-2;+2/p-5
- 1.8 InChIkey
- FJOPCAWCMAQSSN-UHFFFAOYSA-I
- 1.9 Canonical Smiles
- B(O)(O)O.[O-2].[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Zn+2]
- 1.10 Isomers Smiles
- B(O)(O)O.[O-2].[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Zn+2]
2. Properties
- 2.1 Boiling point
- 158°C at 760 mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 464.74600
- 2.1 PSA
- 245.39000
- 2.1 logP
- -2.04680
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Other Information
- 4.0 Manufacturing Info
- Sulfuric acid copper(2+) salt (1:1), reaction products with boric acid (H3BO3), sodium phosphate and zinc oxide: INACTIVE
5. Computational chemical data
- Molecular Weight: 466.751g/mol
- Molecular Formula: BCuH3Na3O12PSZn
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 464.745636
- Monoisotopic Mass: 464.745636
- Complexity: 107
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Topological Polar Surface Area: 237
- Heavy Atom Count: 20
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 9
- CACTVS Substructure Key Fingerprint: AAADcQIAPDJAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACCAAAAAAAAAAAAAAABAAQAAAALAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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