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Formic Acid, Thallium(1+) Salt (1:1)
CAS: 992-98-3 | CH2O2Tl
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
992-98-3
Molecular Formula:
CH2O2Tl
Molecular Mass:
250.41 g/mol
Names and Synonyms:
Formic Acid, Thallium(1+) Salt (1:1)
Formic acid, thallium(1+) salt (1:1)
Formic acid, thallium(1+) salt
Thallium formate
Thallous formate
Thallium(1+) formate
Identifiers:
SMILES:
O=CO.[Tl]
InChI:
InChI=1S/CH2O2.Tl/c2-1-3;/h1H,(H,2,3);
Key Properties
Melting Point
101 °C
CAS Common Chemistry
Density
4.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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.
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 | |
| Density | 4.97 g/cm³ | CAS Common Chemistry |
| 4.970 g/cm3 @ Temp: 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 |
| Molar Refractivity | 14.4468 | RDKit |
