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CAS No.: | 31431-30-8 |
---|---|
Name: | 2-(4-amino-3-nitrobenzoyl)thiophene |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H8N2O3S |
Molecular Weight: | 248.262 |
Synonyms: | Ketone,4-amino-3-nitrophenyl 2-thienyl (8CI);2-(4-Amino-3-nitrobenzoyl)thiophene; |
EINECS: | 250-634-9 |
Density: | 1.45 g/cm3 |
Melting Point: | 170-171°C |
Boiling Point: | 469.6 °C at 760 mmHg |
Flash Point: | 237.8 °C |
PSA: | 117.15000 |
LogP: | 3.57390 |
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The Methanone,(4-amino-3-nitrophenyl)-2-thienyl-, with the CAS registry number 31431-30-8, is also known as BAS 00319014. Its EINECS registry number is 250-634-9. This chemical's molecular formula is C11H8N2O3S. Its IUPAC name is called (4-amino-3-nitrophenyl)-thiophen-2-ylmethanone.
Physical properties of Methanone,(4-amino-3-nitrophenyl)-2-thienyl-: (1)ACD/LogP: 3.09; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Index of Refraction: 1.687; (6)Molar Refractivity: 65.21 cm3; (7)Molar Volume: 171.1 cm3; (8)Surface Tension: 67.9 dyne/cm; (9)Density: 1.45 g/cm3; (10)Flash Point: 237.8 °C; (11)Enthalpy of Vaporization: 73.2 kJ/mol; (12)Boiling Point: 469.6 °C at 760 mmHg; (13)Vapour Pressure: 5.44E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C11H8N2O3S/c12-8-4-3-7(6-9(8)13(15)16)11(14)10-2-1-5-17-10/h1-6H,12H2
(3)InChIKey: JYEFXNUTHWKKGY-UHFFFAOYSA-N