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Basic Information
CAS No.: 41175-45-5
Name: Coumarin 106
Article Data: 1
Molecular Structure:
Molecular Structure of 41175-45-5 (Coumarin 106)
Formula: C18H19 N O2
Molecular Weight: 281.354
Synonyms: Coumarin106; Coumarin 478; NSC 290434
EINECS: 255-246-3
Density: 1.32g/cm3
Melting Point: 149 ºC
Boiling Point: 538.4°C at 760 mmHg
Flash Point: 210.7°C
Hazard Symbols:
Risk Codes: R20/21/22;R36/37/38   
Safety: S26;S37/39
PSA: 33.45000
LogP: 3.04550
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Chemistry

Molecular Structure of Coumarin 106 (CAS No.41175-45-5):

Molecular Formula: C18H19NO2
Molecular Weight: 281.349
Systematic Name: 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[4,5]pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12(9H)-one
CAS No: 41175-45-5
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.669
Molar Refractivity: 79.31 cm3
Molar Volume: 212.4 cm3
Surface Tension: 60 dyne/cm
Density: 1.32 g/cm3
Flash Point: 210.7 °C
Enthalpy of Vaporization: 81.55 kJ/mol
Boiling Point: 538.4 °C at 760 mmHg
Vapour Pressure: 1.17E-11 mmHg at 25°C
InChI: InChI=1/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
InChIKey: LLSRPENMALNOFW-UHFFFAOYAD
Std. InChI: InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
Std. InChIKey: LLSRPENMALNOFW-UHFFFAOYSA-N

Safety Profile

Hazard Codes: 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
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Specification

   Coumarin 106 (CAS No.41175-45-5), it also can be called Coumarin 478 ; 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one . It is yellow powder and chunks.