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4139-61-1

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Basic Information
CAS No.: 4139-61-1
Name: 6-BROMO-4-HYDROXYCOUMARIN
Article Data: 20
Molecular Structure:
Molecular Structure of 4139-61-1 (6-BROMO-4-HYDROXYCOUMARIN)
Formula: C9H5 Br O3
Molecular Weight: 241.041
Synonyms: Coumarin,6-bromo-4-hydroxy- (7CI,8CI); 6-Bromo-4-hydroxycoumarin
Density: 1.879g/cm3
Melting Point: 298°C (dec.)
Boiling Point: 405.8°Cat760mmHg
Flash Point: 199.2°C
Hazard Symbols:
Risk Codes: 20/21/22
Safety: 26-36/37/39
PSA: 50.44000
LogP: 2.26110
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Chemistry

Molecular structure of 6-Bromo-4-hydroxycoumarin (CAS NO.4139-61-1) is:

Product Name: 6-Bromo-4-hydroxycoumarin
CAS Registry Number: 4139-61-1
Molecular Formula: C9H5BrO3
Molecular Weight: 241.04
Melting Point: 298°C (dec.)
Index of Refraction: 1.69 
Molar Refractivity: 49.043 cm3 
Molar Volume: 128.261 cm3
Surface Tension: 69.233 dyne/cm 
Density: 1.879 g/cm3 
Flash Point: 199.207 °C 
Enthalpy of Vaporization: 69.323 kJ/mol 
Boiling Point: 405.776 °C at 760 mmHg 
Vapour Pressure: 0 mmHg at 25°C 
Product Categories: Heterocycles series
SMILES: Brc1ccc2OC(=O)/C=C(/O)c2c1
InChI: InChI=1/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey: KNMCTCABMSGXGR-UHFFFAOYAI 
Std. InChI: InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H 
Std. InChIKey: KNMCTCABMSGXGR-UHFFFAOYSA-N

Safety Profile

Safty information about 6-Bromo-4-hydroxycoumarin (CAS NO.4139-61-1) is:
Hazard Codes: IrritantXi
Risk Statements: 20/21/22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
Hazard Note: Irritant

Specification

 6-Bromo-4-hydroxycoumarin , its cas register number is 4139-61-1. It also can be called 6-Bromo-4-hydroxy-2H-chromen-2-one ; 2H-1-Benzopyran-2-one,6-bromo-4-hydroxy- .