Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3'-Bromo-4'-methoxyacetophenone |
EINECS | N/A |
CAS No. | 35310-75-9 | Density | 1.421 g/cm3 |
PSA | 26.30000 | LogP | 2.66030 |
Solubility | N/A | Melting Point |
84-86 °C |
Formula | C9H9BrO2 | Boiling Point | 316.6 °C at 760 mmHg |
Molecular Weight | 229.073 | Flash Point | 145.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acetophenone,3'-bromo-4'-methoxy- (7CI);3'-Bromo-4'-methoxyacetophenone;4-Acetyl-2-bromoanisole; |
Article Data | 36 |
The Ethanone,1-(3-bromo-4-methoxyphenyl)-, with the CAS registry number 35310-75-9, has the systematic name and IUPAC name of 3'-Bromo-4'-methoxyacetophenone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H9BrO2.
The characteristics of Ethanone,1-(3-bromo-4-methoxyphenyl)- are as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.98; (6)ACD/BCF (pH 7.4): 42.98; (7)ACD/KOC (pH 5.5): 513.73; (8)ACD/KOC (pH 7.4): 513.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 50.64 cm3; (15)Molar Volume: 161.1 cm3; (16)Polarizability: 20.07×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 145.3 °C; (20)Enthalpy of Vaporization: 55.8 kJ/mol; (21)Boiling Point: 316.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000406 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(ccc1OC)C(=O)C
(2)InChI: InChI=1/C9H9BrO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
(3)InChIKey: JYPGOBDETCKKKV-UHFFFAOYAP