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CAS No.: | 2160-51-2 |
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Name: | 2,5-DIBROMO-3-NITROTHIOPHENE |
Molecular Structure: | |
Formula: | C4HBr2NO2S |
Molecular Weight: | 286.931 |
Synonyms: | ZINC04205255; |
Density: | 2.330 g/cm3 |
Melting Point: | 60-61 °C |
Boiling Point: | 271.7 °C at 760 mmHg |
Flash Point: | 118.1 °C |
PSA: | 74.06000 |
LogP: | 3.70450 |
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The 2,5-Dibromo-3-nitrothiophene, with the CAS registry number 2160-51-2, is also known as ZINC04205255. This chemical's molecular formula is C4HBr2NO2S and molecular weight is 286.93. Its IUPAC name is called 2,5-dibromo-3-nitrothiophene.
Physical properties of 2,5-Dibromo-3-nitrothiophene: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.68; (7)Molar Refractivity: 46.56 cm3; (8)Molar Volume: 123.1 cm3; (9)Surface Tension: 63 dyne/cm; (10)Density: 2.33 g/cm3; (11)Flash Point: 118.1 °C; (12)Enthalpy of Vaporization: 48.94 kJ/mol; (13)Boiling Point: 271.7 °C at 760 mmHg; (14)Vapour Pressure: 0.0106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(SC(=C1[N+](=O)[O-])Br)Br
(2)InChI: InChI=1S/C4HBr2NO2S/c5-3-1-2(7(8)9)4(6)10-3/h1H
(3)InChIKey: HYJLCFYMHSSKHD-UHFFFAOYSA-N