2H-1-Benzopyran-2-one,3-bromo-7-hydroxy-4-methyl- supplier

Name
3-BROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE
EINECS
CAS No. 55977-10-1
Article Data17
CAS DataBase
Density 1.748g/cm³
Solubility
Melting Point
Formula C₁₀H₇BrO₃
Boiling Point 422.9 °C at 760 mmHg
Molecular Weight 255.068
Flash Point 209.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Umbelliferone,3-bromo-4-methyl- (6CI);3-Bromo-4-methylumbelliferone;3-Bromo-7-hydroxy-4-methylcoumarin;NSC 167576;
PSA 110.76000
LogP 1.81760

2H-1-Benzopyran-2-one,3-bromo-7-hydroxy-4-methyl- Specification

The 2H-1-Benzopyran-2-one,3-bromo-7-hydroxy-4-methyl-, with CAS registry number 55977-10-1, has the systematic name of 3-bromo-7-hydroxy-4-methyl-2H-chromen-2-one. Besides this, it is also called 3-bromo-7-hydroxy-4-methylchromen-2-one. And the chemical formula of this chemical is C₁₀H₇BrO₃.

Physical properties of 2H-1-Benzopyran-2-one,3-bromo-7-hydroxy-4-methyl-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 68.09; (6)ACD/BCF (pH 7.4): 34.45; (7)ACD/KOC (pH 5.5): 711.54; (8)ACD/KOC (pH 7.4): 359.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 54.13 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 21.46×10^-24cm³; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.748 g/cm³; (19)Flash Point: 209.6 °C; (20)Enthalpy of Vaporization: 70.34 kJ/mol; (21)Boiling Point: 422.9 °C at 760 mmHg; (22)Vapour Pressure: 9.45E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C1=C(\c2c(OC1=O)cc(O)cc2)C
(2)InChI: InChI=1/C10H7BrO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
(3)InChIKey: FVTBEDLKPPVXNH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H7BrO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
(5)Std. InChIKey: FVTBEDLKPPVXNH-UHFFFAOYSA-N

Product Name

3-BROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE

2H-1-Benzopyran-2-one,3-bromo-7-hydroxy-4-methyl- Specification

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