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CAS No.: | 23442-14-0 |
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Name: | 4'-AMINOPHENACYL BROMIDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H8BrNO |
Molecular Weight: | 214.062 |
Synonyms: | Acetophenone,4'-amino-2-bromo- (7CI,8CI);4-Amino-a-bromoacetophenone;4-Aminophenacyl bromide;4'-Amino-2-bromoacetophenone;w-Bromo-p-aminoacetophenone; |
Density: | 1.569 g/cm3 |
Boiling Point: | 344.4 °C at 760 mmHg |
Flash Point: | 162.1 °C |
PSA: | 43.09000 |
LogP: | 2.42760 |
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The Ethanone,1-(4-aminophenyl)-2-bromo-, with the CAS registry number 23442-14-0, is also known as 4'-Aminophenacylbromide. This chemical's molecular formula is C8H8BrNO and molecular weight is 214.05922. What's more, both its IUPAC name and systematic name are the same which is called 1-(4-Aminophenyl)-2-bromoethanone.
Physical properties about Ethanone,1-(4-aminophenyl)-2-bromo- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 3.03; (7)ACD/KOC (pH 5.5): 76.86; (8)ACD/KOC (pH 7.4): 76.87; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.625; (14) Molar Refractivity: 48.24 cm3; (15)Molar Volume: 136.4 cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Density: 1.569 g/cm3; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 58.83 kJ/mol; (20)Boiling Point: 344.4 °C at 760 mmHg; (21)Vapour Pressure: 6.62E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(N)cc1)CBr
(2) InChI: InChI=1/C8H8BrNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2
(3) InChIKey: KEDZCZPTPIYWLM-UHFFFAOYAS