3'-Bromo-4'-methoxyacetophenone supplier

Name
1-(3-BROMO-4-METHOXYPHENYL)ETHANONE
EINECS
CAS No. 35310-75-9
Article Data36
CAS DataBase
Density 1.421 g/cm³
Solubility
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
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,3'-bromo-4'-methoxy- (7CI);3'-Bromo-4'-methoxyacetophenone;4-Acetyl-2-bromoanisole;
PSA 26.30000
LogP 2.66030

3'-Bromo-4'-methoxyacetophenone Specification

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

Product Name

1-(3-BROMO-4-METHOXYPHENYL)ETHANONE

3'-Bromo-4'-methoxyacetophenone Specification

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