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Cas Database |
| Name |
4-Bromo-1,3-thiazole-2-carboxylic acid |
EINECS | N/A |
| CAS No. | 88982-82-5 | Density | 2.062±0.06 g/cm3(Predicted) |
| PSA | 78.43000 | LogP | 1.60380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H2 Br N O2 S | Boiling Point | 372.5±34.0 °C(Predicted) |
| Molecular Weight | 208.035 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Bromo-2-thiazolecarboxylicacid |
Article Data | 10 |
4-Bromo-1,3-thiazole-2-carboxylic acid Chemical Properties
Molecular Structure of 4-Bromo-1,3-thiazole-2-carboxylic acid (CAS NO.88982-82-5):
IUPAC Name: 4-Bromo-1,3-thiazole-2-carboxylic acid
Molecular Formula: C4H2BrNO2S
Molecular Weight: 208.03
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 206.898962
MonoIsotopic Mass: 206.898962
Topological Polar Surface Area: 78.4
Heavy Atom Count: 9
Complexity: 132
Index of Refraction: 1.663
Molar Refractivity: 37.349 cm3
Molar Volume: 100.851 cm3
Surface Tension: 75.422 dyne/cm
Density: 2.063 g/cm3
Flash Point: 179.085 °C
Enthalpy of Vaporization: 65.372 kJ/mol
Boiling Point: 372.505 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Canonical SMILES: C1=C(N=C(S1)C(=O)O)Br
InChI: InChI=1S/C4H2BrNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8)
InChIKey: AYUAEJPYEJEHJN-UHFFFAOYSA-N
4-Bromo-1,3-thiazole-2-carboxylic acid Specification
4-Bromo-1,3-thiazole-2-carboxylic acid (CAS NO.88982-82-5), its Synonyms are 2-Thiazolecarboxylicacid, 4-bromo- ; 4-Bromo-2-thiazole carboxylic acid ; 4-Bromo-thiazole-2-carboxylic acid .
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