Benzenebutanoic acid, β-bromo-α,y-dioxo-, methyl ester supplier

Name
METHYL 3-BROMO-2,4-DIOXO-4-PHENYLBUTANOATE
EINECS
CAS No. 59609-59-5
Density 1.543 g/cm³
Solubility
Melting Point 110-112 °C
Formula C₁₁H₉BrO₄
Boiling Point 344.4 °C at 760 mmHg
Molecular Weight 285.094
Flash Point 162.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms METHYL 3-BROMO-2,4-DIOXO-4-PHENYLBUTANOATE;Methyl 3-broMo-2,4-dioxo-4-phenylbutyrate, 97%
PSA 60.44000
LogP 1.37490

Benzenebutanoic acid, β-bromo-α,y-dioxo-, methyl ester Specification

The Benzenebutanoic acid, β-bromo-α,y-dioxo-, methyl ester has CAS registry number 59609-59-5. This chemical's molecular formula is C₁₁H₉BrO₄ and molecular weight is 285.09. What's more, its systematic name is Methyl 3-bromo-2,4-dioxo-4-phenylbutanoate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzenebutanoic acid, β-bromo-α,y-dioxo-, methyl estere are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.9; (8)ACD/KOC (pH 7.4): 1.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.44 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 59.67 cm³; (15)Molar Volume: 184.6 cm³; (16)Polarizability: 23.65×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 58.84 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 6.6E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(Br)C(=O)C(=O)OC
(2)Std. InChI: InChI=1S/C11H9BrO4/c1-16-11(15)10(14)8(12)9(13)7-5-3-2-4-6-7/h2-6,8H,1H3
(3)Std. InChIKey: ZLWZFMIPUOKDJU-UHFFFAOYSA-N

Product Name

METHYL 3-BROMO-2,4-DIOXO-4-PHENYLBUTANOATE

Benzenebutanoic acid, β-bromo-α,y-dioxo-, methyl ester Specification

Related Products

Hot Products