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CAS No.: | 1469-28-9 |
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Name: | 8-Chlorodibenzo[b,f]thiepin-10(11H)-one |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H9ClOS |
Molecular Weight: | 260.744 |
Synonyms: | 2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-11-one;8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-one;8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-2-one;8-Chlorodibenzo[b,f]thiepin-10(11H)-one; |
Density: | 1.359 g/cm3 |
Melting Point: | 125-126℃ (ethanol ) |
Boiling Point: | 425.8 °C at 760 mmHg |
Flash Point: | 211.3 °C |
PSA: | 42.37000 |
LogP: | 4.23000 |
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The Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro-, with the CAS registry number 1469-28-9, is also known as 2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-11-one. This chemical's molecular formula is C14H9ClOS and molecular weight is 260.74. What's more, its systematic name is 8-Chlorodibenzo[b,f]thiepin-10(11H)-one.
Physical properties of Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro- are: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 42.37 Å2; (7)Index of Refraction: 1.669; (8)Molar Refractivity: 71.59 cm3; (9)Molar Volume: 191.7 cm3; (10)Polarizability: 28.38×10-24 cm3; (11)Surface Tension: 53.7 dyne/cm; (12)Density: 1.359 g/cm3; (13)Flash Point: 211.3 °C; (14)Enthalpy of Vaporization: 68.06 kJ/mol; (15)Boiling Point: 425.8 °C at 760 mmHg; (16)Vapour Pressure: 1.85E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc2Sc1c(cccc1)CC(=O)c2c3
(2)InChI: InChI=1S/C14H9ClOS/c15-10-5-6-14-11(8-10)12(16)7-9-3-1-2-4-13(9)17-14/h1-6,8H,7H2
(3)InChIKey: RFEQOXYRLRIDPF-UHFFFAOYSA-N