-
Name
1-(4-AMINO-3-BROMO-PHENYL)-ETHANONE
- EINECS
- CAS No. 56759-32-1
- Article Data27
- CAS DataBase
- Density 1.535 g/cm3
- Solubility
- Melting Point 59-62 °C
- Formula C8H8BrNO
- Boiling Point 344.1 °C at 760 mmHg
- Molecular Weight 214.062
- Flash Point 161.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(4-Amino-3-bromophenyl)ethanone;3'-Bromo-4'-aminoacetophenone;4'-Amino-3'-bromoacetophenone;1-(4-Amino-3-bromo-phenyl)-ethanone;
- PSA 43.09000
- LogP 2.81510
Ethanone,1-(4-amino-3-bromophenyl)- Specification
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
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