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Molecule
Formic Acid, Thallium(1+) Salt (1:1)
CAS: 992-98-3 · CH2O2Tl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 992-98-3
- Molecular Formula
- CH2O2Tl
- Molecular Mass
- 250.41 g/mol
Identifiers
CAS Registry Number
992-98-3
SMILES
O=CO.[Tl]
InChI Key
BKLGCYKVCPCTKS-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Tl/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Formic Acid, Thallium(1+) Salt (1:1) Systematic Name
- Formic acid, thallium(1+) salt (1:1) Synonym
- Formic acid, thallium(1+) salt Synonym
- Thallium formate Synonym
- Thallous formate Synonym
- Thallium(1+) formate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.41 g/mol | CAS Common Chemistry |
| 250.40800000000002 g/mol | RDKit | |
| 250.979906804 g/mol | RDKit | |
| 251.413 g/mol | chempirical lib | |
| Density | 4.97 g/cm³ | CAS Common Chemistry |
| 4.970 g/cm3 @ 104 °C | CAS Common Chemistry | |
| Canonical SMILES | [Tl].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Tl/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=BKLGCYKVCPCTKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101 °C | CAS Common Chemistry |
| Name | Formic acid, thallium(1+) salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.6799999999999999 | RDKit |
| -0.68 | RDKit | |
| Molar Refractivity | 14.4468 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 250.408 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 250.41 g/mol; density = 4.970 g/mL. Edit any field — others recompute live.
