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| CAS No.: | 89499-42-3 |
|---|---|
| Name: | 2-Thiophenecarboxylic acid, 4-amino-5-bromo- |
| Molecular Structure: | |
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| Formula: | C5H4BrNO2S |
| Molecular Weight: | 222.06 |
| Synonyms: | 4-Amino-5-bromo-2-thiophenecarboxylic acid; |
| Density: | 2.02 g/cm3 |
| Boiling Point: | 439.3 °C at 760 mmHg |
| Flash Point: | 219.5 °C |
| PSA: | 91.56000 |
| LogP: | 2.37220 |
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- Total:23 Page 1 of 1 1
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Specification
The 2-Thiophenecarboxylicacid, 4-amino-5-bromo-, with the CAS registry number 89499-42-3, is also known as 4-Amino-5-bromo-2-thiophenecarboxylic acid. This chemical's molecular formula is C5H4BrNO2S and molecular weight is 222.05976. Its systematic name is called 4-Amino-5-bromothiophene-2-carboxylic acid.
Physical properties of 2-Thiophenecarboxylicacid, 4-amino-5-bromo-: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.71; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.721; (11)Molar Refractivity: 43.49 cm3; (12)Molar Volume: 109.9 cm3; (13)Surface Tension: 80.1 dyne/cm; (14)Density: 2.02 g/cm3; (15)Flash Point: 219.5 °C; (16)Enthalpy of Vaporization: 73.38 kJ/mol; (17)Boiling Point: 439.3 °C at 760 mmHg; (18)Vapour Pressure: 1.72E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(sc1C(=O)O)Br)N
(2)InChI: InChI=1/C5H4BrNO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,7H2,(H,8,9)
(3)InChIKey: YYJRQBYVIMZIIX-UHFFFAOYAL