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| CAS No.: | 100523-84-0 |
|---|---|
| Name: | 5-bromothiophene-3-carboxylic acid |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C5H3BrO2S |
| Molecular Weight: | 207.048 |
| Synonyms: | 5-bromothiophene-3-carboxylic acid;2-Bromothiophene-4-carboxylicacid;5-Bromo-3-thiophenecarboxylic acid; |
| Density: | 1.924 g/cm3 |
| Melting Point: | 140-144°C |
| Boiling Point: | 318.907 °C at 760 mmHg |
| Flash Point: | 146.67 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 65.54000 |
| LogP: | 2.20880 |
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Specification
The 3-Thiophenecarboxylicacid, 5-bromo-, with the CAS registry number 100523-84-0, is also known as 5-Bromothiophene-2-carboxylic acid. This chemical's molecular formula is C5H3BrO2S and molecular weight is 207.04. Its systematic name is called 5-bromothiophene-3-carboxylic acid.
Physical properties of 3-Thiophenecarboxylicacid, 5-bromo-: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 39.257 cm3; (12)Molar Volume: 107.627 cm3; (13)Surface Tension: 62.865 dyne/cm; (14)Density: 1.924 g/cm3; (15)Flash Point: 146.67 °C; (16)Enthalpy of Vaporization: 59.168 kJ/mol; (17)Boiling Point: 318.907 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1csc(Br)c1
(2)InChI: InChI=1/C5H3BrO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
(3)InChIKey: YCNXGPMGMAKDPM-UHFFFAOYAE