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| CAS No.: | 61971-47-9 |
|---|---|
| Name: | Clerici's solution |
| Molecular Structure: | |
 |
|
| Formula: | C4H2O6Tl2 |
| Molecular Weight: | 554.82 |
| Synonyms: | Propanedioic acid,compounds,dithallium(1+) salt,mixt. with thallium(1+) formate; |
| Density: | 4.36 g/mL at 25 °C(lit.) |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 26/27/28-33-36/37/38 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 2810 |
| PSA: | 106.56000 |
| LogP: | -3.33630 |
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Specification
This chemical is called Clerici's solution, and its IUPAC name is 3-carboxylatooxy-3-oxopropanoate; thallium(1+). With the molecular formula of C4H2O6Tl2, its molecular weight is 554.82. The CAS registry number of this chemical is 61971-47-9.
Other characteristics of the Clerici's solution can be summarised as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 2; (4)Exact Mass: 555.933962; (5)MonoIsotopic Mass: 555.933962; (6)Topological Polar Surface Area: 107; (7)Heavy Atom Count: 12; (8)Formal Charge: 0; (9)Complexity: 160; (10)Covalently-Bonded Unit Count: 3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / toxic to eyes, respiratory system and skin. Do not breathe vapour. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.Canonical SMILES: C(C(=O)[O-])C(=O)OC(=O)[O-].[Tl+].[Tl+]
2.InChI: InChI=1S/C4H4O6.2Tl/c5-2(6)1-3(7)10-4(8)9;;/h1H2,(H,5,6)(H,8,9);;/q;2*+1/p-2
3.InChIKey: QHRSTSUOSNUUHN-UHFFFAOYSA-L