-
Name
7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
- EINECS
- CAS No. 193686-76-9
- Article Data2
- CAS DataBase
- Density 1.36 g/cm3
- Solubility
- Melting Point
- Formula C17H16ClNO3S
- Boiling Point 536.5 °C at 760 mmHg
- Molecular Weight 349.838
- Flash Point 278.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-;
- PSA 62.83000
- LogP 4.96600
7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one Specification
The 7-Chloro-1-(4-mechirubenzensuruhoniru)-2,3,4,5-tetrahydro-1H-benzo [b] azepine 5-one, with the CAS registry number 193686-76-9, is also known as 5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-. This chemical's molecular formula is C17H16ClNO3S and molecular weight is 349.83. What's more, its systematic name is 7-chloro-1-(p-Tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
Physical properties about 7-Chloro-1-(4-mechirubenzensuruhoniru)-2,3,4,5-tetrahydro-1H-benzo [b] azepine 5-one are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 948.58; (6)ACD/BCF (pH 7.4): 948.58; (7)ACD/KOC (pH 5.5): 4705.32; (8)ACD/KOC (pH 7.4): 4705.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 90.2 cm3; (15)Molar Volume: 257 cm3; (16)Polarizability: 35.75×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 278.3 °C; (20)Enthalpy of Vaporization: 81.32 kJ/mol; (21)Boiling Point: 536.5 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)S(=O)(=O)N2CCCC(=O)c3c2ccc(c3)Cl
(2) InChI: InChI=1/C17H16ClNO3S/c1-12-4-7-14(8-5-12)23(21,22)19-10-2-3-17(20)15-11-13(18)6-9-16(15)19/h4-9,11H,2-3,10H2,1H3
(3) InChIKey: UMJJRQXJGYESBD-UHFFFAOYAS
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