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CAS No.: | 56759-32-1 |
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Name: | 1-(4-AMINO-3-BROMO-PHENYL)-ETHANONE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H8BrNO |
Molecular Weight: | 214.062 |
Synonyms: | 1-(4-Amino-3-bromophenyl)ethanone;3'-Bromo-4'-aminoacetophenone;4'-Amino-3'-bromoacetophenone;1-(4-Amino-3-bromo-phenyl)-ethanone; |
Density: | 1.535 g/cm3 |
Melting Point: | 59-62 °C |
Boiling Point: | 344.1 °C at 760 mmHg |
Flash Point: | 161.9 °C |
PSA: | 43.09000 |
LogP: | 2.81510 |
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The CAS register number of Ethanone,1-(4-amino-3-bromophenyl)- is 56759-32-1. It also can be called as 1-(4-Amino-3-bromo-phenyl)-ethanone and the IUPAC name about this chemical is 1-(4-amino-3-bromophenyl)ethanone. The molecular formula about this chemical is C8H8BrNO and the molecular weight is 214.06. It belongs to the Pharmacetical.
Physical properties about Ethanone,1-(4-amino-3-bromophenyl)- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.81; (4)ACD/BCF (pH 5.5): 13.92; (5)ACD/BCF (pH 7.4): 13.93; (6)ACD/KOC (pH 5.5): 229.27; (7)ACD/KOC (pH 7.4): 229.27; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 48.2 cm3; (14)Molar Volume: 139.4 cm3; (15)Polarizability: 19.11x10-24cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Enthalpy of Vaporization: 58.8 kJ/mol; (18)Boiling Point: 344.1 °C at 760 mmHg; (19)Vapour Pressure: 6.75E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C(=O)C)ccc1N
(2)InChI: InChI=1/C8H8BrNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3
(3)InChIKey: ASMVJBACZFHISI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8BrNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3
(5)Std. InChIKey: ASMVJBACZFHISI-UHFFFAOYSA-N