2-Bromo-3-methylacetophenone supplier

Name
2-Bromo-3-methylacetophenone
EINECS
CAS No. 51012-64-7
Article Data51
CAS DataBase
Density 1.416 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO
Boiling Point 263.927 °C at 760 mmHg
Molecular Weight 213.074
Flash Point 74.59 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1-(3-methylphenyl)ethanone;
PSA 17.07000
LogP 2.57260

2-Bromo-3-methylacetophenone Specification

The 2-Bromo-3-methylacetophenone, with the CAS registry number 51012-64-7, is also known as 2-Bromo-1-m-tolylethanone. It belongs to the product categories of Adehydes, Acetals & Ketones; Bromine Compounds. This chemical's molecular formula is C₉H₉BrO and molecular weight is 213.0712. What's more, its systematic name is 2-Bromo-1-(3-methylphenyl)ethanone.

Physical properties about 2-Bromo-3-methylacetophenone are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 48.838 cm³; (15)Molar Volume: 150.421 cm³; (16)Polarizability: 19.361×10^-24 cm³; (17)Surface Tension: 41.697 dyne/cm; (18)Density: 1.416 g/cm³; (19)Flash Point: 74.59 °C; (20)Enthalpy of Vaporization: 50.178 kJ/mol; (21)Boiling Point: 263.927 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(ccc1)C)CBr
(2) InChI: InChI=1/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
(3) InChIKey: BANFRNTVKCHZDE-UHFFFAOYAH

Product Name

2-Bromo-3-methylacetophenone

2-Bromo-3-methylacetophenone Specification

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