CAS No.1143-50-6,5H-DIBENZO(B,E)AZEPINE-6,11-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1143-50-6
Name:	5H-DIBENZO(B,E)AZEPINE-6,11-DIONE
Article Data:	36

Formula:	C₁₄H₉NO₂
Molecular Weight:	223.231
Synonyms:	6,11(5H)-Morphanthridinedione(6CI,7CI,8CI);6,11-Dihydro-5H-dibenz[b,e]azepin-6,11-dione;NSC 144965;
EINECS:	214-539-6
Density:	1.291 g/cm³
Melting Point:	245-246 °C
Boiling Point:	327.3 °C at 760 mmHg
Flash Point:	131.3 °C
PSA:	49.93000
LogP:	2.04150

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Specification

The 5H-Dibenz[b,e]azepine-6,11-dione with the cas number 1143-50-6 is also called 6,11(5H)-Morphanthridinedione(6CI,7CI,8CI). Its EINECS registry number is 214-539-6. The molecular formula is C₁₄H₉NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.87; (6)ACD/BCF (pH 7.4): 28.87; (7)ACD/KOC (pH 5.5): 386.37; (8)ACD/KOC (pH 7.4): 386.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 62.01 cm³; (15)Molar Volume: 172.8 cm³; (16)Polarizability: 24.58×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Enthalpy of Vaporization: 56.96 kJ/mol; (19)Vapour Pressure: 0.000204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)NC(=O)c3c2cccc3
(2)InChI: InChI=1/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17)
(3)InChIKey: USJALFVAJSYMSN-UHFFFAOYAH