YTTRIUM OXALATE
- Iupac Name：oxalate;yttrium(3+)
- CAS No.: 252900-41-7
- Molecular Weight：441.87
- Modify Date.: 2022-12-13 16:08
1. Names and Identifiers
- 1.1 Name
- YTTRIUM OXALATE
- 1.2 Synonyms
Ethanedioic acid, yttrium(3+) salt (3:2) MFCD00150500 oxalicacid,yttrium,hydrate Yttrium ethanedioate (2:3) Yttrium(III) oxalate hydrate Yttrium(III) oxalate hydrate
- 1.3 CAS No.
- 252900-41-7
- 1.4 CID
- 92002931
- 1.5 EINECS(EC#)
- 212-767-0
- 1.6 Molecular Formula
- C6O12Y2 (isomer)
- 1.7 Inchi
- InChI=1S/3C2H2O4.2Y/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
- 1.8 InChkey
- IBSDADOZMZEYKD-UHFFFAOYSA-H
- 1.9 Canonical Smiles
- [Y+3].[Y+3].[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O
- 1.10 Isomers Smiles
- C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O.[Y].[Y]
2. Properties
- 2.1 Density
- 2.51?g/mL?at 25?°C(lit.)
- 2.1 Melting point
- >400?°C(lit.)
- 2.1 Boiling point
- 365.1 °C at 760 mmHg
- 2.1 Flash Point
- 188.8 °C
- 2.1 Precise Quality
- 441.75100
- 2.1 PSA
- 157.80000
- 2.1 logP
- -2.99580
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- 36/37
- 3.1 Safety Statements
- 26-36
- 3.1 Packing Group
- III
- 3.1 Hazard Class
- 6.1
- 3.1 RIDADR
- UN3288
- 3.1 WGK Germany
- 3
4. 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
5. Computational chemical data
- Molecular Weight: 441.87g/mol
- Molecular Formula: C6O12Y2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 465.808167
- Monoisotopic Mass: 465.808167
- Complexity: 71.5
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Topological Polar Surface Area: 225
- Heavy Atom Count: 21
- 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: 6
- CACTVS Substructure Key Fingerprint: AAADccBgPAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAIAACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
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- Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
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7. Realated Product Infomation
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