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2107-76-8

Basic Information
CAS No.: 2107-76-8
Name: 5,7-Dihydroxy-4-methylcoumarin
Article Data: 42
Molecular Structure:
Molecular Structure of 2107-76-8 (5,7-Dihydroxy-4-methylcoumarin)
Formula: C10H8O4
Molecular Weight: 192.171
Synonyms: NSC 5302;4-Methyl-5,7-dihydroxycoumarin;Coumarin,5,7-dihydroxy-4-methyl- (7CI,8CI);
EINECS: 218-289-9
Density: 1.456 g/cm3
Melting Point: 296-299 °C(lit.)
Boiling Point: 472.068 °C at 760 mmHg
Flash Point: 197.851 °C
Solubility: slightly soluble in water
Appearance: Yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 70.67000
LogP: 1.51260
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Chemistry

Molecular Structure of 5,7-Dihydroxy-4-methylcoumarin (CAS NO.2107-76-8):

IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one
Empirical Formula: C10H8O4
Molecular Weight: 192.1681
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.651
Molar Refractivity: 48.23 cm3
Molar Volume: 131.9 cm3
Surface Tension: 63.4 dyne/cm
Density: 1.456 g/cm3
Flash Point: 197.8 °C
Enthalpy of Vaporization: 76.3 kJ/mol
Boiling Point: 472.1 °C at 760 mmHg
Vapour Pressure: 1.55E-09 mmHg at 25°C
InChI
InChI=1/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
Smiles
c12c(c(cc(c1)O)O)c(cc(o2)=O)C
Melting point: 296-299 °C(lit.)
Sensitive: Light Sensitive
BRN: 179133
EINECS: 218-289-9
Product Categories: Coumarins; Building Blocks; Heterocyclic Building Blocks

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

 5,7-Dihydroxy-4-methylcoumarin , with CAS number of 2107-76-8, can be called Dihydroxy-4-methylcoumarin, 5,7- ; 4-methyl-5,7-dihydroxycoumarin ; 5,7-Dihydroxy-4-methyl-2h-chromen-2-one ; 5,7-Dihydroxy-4-methylcoumarin ; 5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-on ; 5,7-dihydroxy-4-methyl-coumari ; 5,7-dihydroxy-4-methyl-2-benzopyrone ; Dihydroxy-4-methylcoumarin, 5,7-(rg) .It is a yellow powder, fluoresces blue, can absorb ultraviolet light.

 5,7-Dihydroxy-4-methylcoumarin (CAS NO.2107-76-8) is a phenol and lactone. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids. These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Lactones react similarly to esters. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.