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| CAS No.: | 24430-27-1 |
|---|---|
| Name: | 3-BROMO-2-NITROTHIOPHENE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C4H2BrNO2S |
| Molecular Weight: | 208.035 |
| Synonyms: | 2-Nitro-3-bromothiophene; |
| Density: | 1.945 g/cm3 |
| Melting Point: | 79-81 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 228.6 °C at 760 mmHg |
| Flash Point: | 92.1 °C |
| PSA: | 74.06000 |
| LogP: | 2.94200 |
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Specification
The Thiophene,3-bromo-2-nitro-, with the CAS registry number 24430-27-1, is also known as 3-Bromo-2-nitro thiophene. This chemical's molecular formula is C4H2BrNO2S and molecular weight is 208.03318. Its IUPAC name is called 3-bromo-2-nitrothiophene.
Physical properties of Thiophene,3-bromo-2-nitro-: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.26; (5)ACD/BCF (pH 7.4): 26.26; (6)ACD/KOC (pH 5.5): 361; (7)ACD/KOC (pH 7.4): 361; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.647; (11)Molar Refractivity: 38.87 cm3; (12)Molar Volume: 106.9 cm3; (13)Surface Tension: 59 dyne/cm; (14)Density: 1.945 g/cm3; (15)Flash Point: 92.1 °C; (16)Enthalpy of Vaporization: 44.63 kJ/mol; (17)Boiling Point: 228.6 °C at 760 mmHg; (18)Vapour Pressure: 0.11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1sccc1Br
(2)InChI: InChI=1/C4H2BrNO2S/c5-3-1-2-9-4(3)6(7)8/h1-2H
(3)InChIKey: UYIHKIRPUMUUJX-UHFFFAOYAG