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Basic Information
CAS No.: 26078-25-1
Name: Coumarin 2
Molecular Structure:
Molecular Structure of 26078-25-1 (Coumarin 2)
Formula: C13H15 N O2
Molecular Weight: 217.268
Synonyms: Coumarin,7-(ethylamino)-4,6-dimethyl- (7CI,8CI); 4,6-Dimethyl-7-(ethylamino)coumarin;7-Ethylamino-4,6-dimethylcoumarin; Coumarin 2; Coumarin 450; NSC 93963
EINECS: 247-446-4
Density: 1.159g/cm3
Melting Point: 168-170 ºC
Boiling Point: 384.4°Cat760mmHg
Flash Point: 186.3°C
Solubility: SLIGHTLY SOLUBLE
Appearance: pale yellow crystalline powder
Hazard Symbols:
Risk Codes: R20/21/22;R36/37/38   
Safety: S26;S37/39
PSA: 42.24000
LogP: 2.91460
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Chemistry

Molecular Structure of Coumarin 2 (CAS NO.26078-25-1):

IUPAC Name: 7-(Ethylamino)-4,6-dimethylchromen-2-one 
Molecular Formula: C13H15NO2
Molecular Weight: 217.26
EINECS: 247-446-4
Melting Point: 168-170 °C 
Index of Refraction: 1.593
Molar Refractivity: 63.53 cm3
Molar Volume: 187.3 cm3
Surface Tension: 45.6 dyne/cm
Density: 1.159 g/cm3
Flash Point: 186.3 °C
Enthalpy of Vaporization: 63.31 kJ/mol
Boiling Point: 384.4 °C at 760 mmHg
Vapour Pressure: 4.1E-06 mmHg at 25 °C
Water Solubility: SLIGHTLY SOLUBLE
Stability: Stable. Incompatible with strong oxidizing agents.
Appearance: pale yellow crystalline powder
Canonical SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C
InChI: InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3
InChIKey: QZXAEJGHNXJTSE-UHFFFAOYSA-N

Safety Profile

Safety Information of Coumarin 2 (CAS NO.26078-25-1):
Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 37/39-26 
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.
HazardClass: IRRITANT

Specification

 Coumarin 2 (CAS NO.26078-25-1), its Synonyms are 4,6-Dimethyl-7-ethylaminocoumarin ; 7-(Ethylamino)-4,6-dimethyl-2-benzopyrone ; 7-Ethylamino-4,6-dimethyl coumarin ; Coumarin, 7-(ethylamino)-4,6-dimethyl- ; 2H-1-Benzopyran-2-one, 7-(ethylamino)-4,6-dimethyl- .