Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro- supplier

Name
8-Chlorodibenzo[b,f]thiepin-10(11H)-one
EINECS
CAS No. 1469-28-9
Article Data9
CAS DataBase
Density 1.359 g/cm³
Solubility
Melting Point 125-126℃ (ethanol )
Formula C₁₄H₉ClOS
Boiling Point 425.8 °C at 760 mmHg
Molecular Weight 260.744
Flash Point 211.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 42.37000
LogP 4.23000

Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro- Specification

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^-24cm³; (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

Product Name

8-Chlorodibenzo[b,f]thiepin-10(11H)-one

Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro- Specification

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