2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-8-methoxy- supplier

Name
3-(2-BROMO-ACETYL)-8-METHOXY-CHROMEN-2-ONE
EINECS
CAS No. 106578-18-1
Density 1.618 g/cm³
Solubility
Melting Point
Formula C₁₂H₉BrO₄
Boiling Point 472.1°Cat760mmHg
Molecular Weight 297.105
Flash Point 239.3°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-1-Benzopyran-2-one,3-(bromoacetyl)-8-methoxy- (9CI);3-(2-Bromoacetyl)-8-methoxycoumarin;3-(Bromoacetyl)-8-methoxy-2H-1-benzopyran-2-one;3-(Bromoacetyl)-8-methoxycoumarin;
PSA 56.51000
LogP 2.37920

2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-8-methoxy- Specification

This chemical is called 2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-8-methoxy-, and its systematic name is 3-(bromoacetyl)-8-methoxy-2H-chromen-2-one. With the molecular formula of C₁₂H₉BrO₄, its molecular weight is 297.101460 . The CAS registry number of this chemical is 106578-18-1.

Other characteristics of the 2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-8-methoxy- can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 63.37 cm³; (9)Molar Volume: 183.5 cm³; (10)Polarizability: 25.12×10^-24cm³; (11)Surface Tension: 54.5 dyne/cm; (12)Density: 1.618 g/cm³; (13)Flash Point: 239.3 °C; (14)Enthalpy of Vaporization: 73.49 kJ/mol; (15)Boiling Point: 472.1 °C at 760 mmHg; (16)Vapour Pressure: 4.42E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrCC(=O)C\1=C\c2c(OC/1=O)c(OC)ccc2
2.InChI: InChI=1/C12H9BrO4/c1-16-10-4-2-3-7-5-8(9(14)6-13)12(15)17-11(7)10/h2-5H,6H2,1H3
3.InChIKey: ZMHJVUAVKFWASF-UHFFFAOYAG

Product Name

3-(2-BROMO-ACETYL)-8-METHOXY-CHROMEN-2-ONE

2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-8-methoxy- Specification

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