8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one supplier

Name
2H-3-Benzazepin-2-one, 8-chloro-1,3,4,5-tetrahydro-1-methyl-
EINECS 1806241-263-5
CAS No. 824430-77-5
Article Data4
CAS DataBase
Density 1.174±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C11H12ClNO
Boiling Point 388.9±42.0 °C(Predicted)
Molecular Weight 209.675
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-dichloro-1-methyl-2,3,5-trihydro-1H-3-benzazepin-2-one;2H-3-Benzazepin-2-one,8-chloro-1,3,4,5-tetrahydro-1-methyl;BEN212;
PSA 32.59000
LogP 2.39170

8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one Specification

The 8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one, with the CAS registry number 824430-77-5. It belongs to the product categories of medicine intermediate. This chemical's molecular formula is C₁₁H₁₂ClNO and molecular weight is 209.67. What's more, its systematic name is 8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one.

Physical properties about 8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one are:(1)ACD/LogP: 1.648; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.52; (6)ACD/BCF (pH 7.4): 10.52; (7)ACD/KOC (pH 5.5): 187.63; (8)ACD/KOC (pH 7.4): 187.63 ; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 56.121 cm³; (14)Molar Volume: 178.474 cm³; (15)Polarizability: 22.248×10^-24cm³; (16)Surface Tension: 37.3409996032715 dyne/cm; (17)Density: 1.175 g/cm³; (18)Flash Point: 189.018 °C ; (19)Enthalpy of Vaporization: 63.82 kJ/mol; (20)Boiling Point: 388.929 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)Clc1ccc2c(c1)C(C(=O)NCC2)CCopy;
(2)Std. InChI:InChI=1S/C11H12ClNO/c1-7-10-6-9(12)3-2-8(10)4-5-13-11(7)14/h2-3,6-7H,4-5H2,1H3,(H,13,14) ;
(3)Std. InChIKey:GWMXBSJNHZORGS-UHFFFAOYSA-;

Product Name

2H-3-Benzazepin-2-one, 8-chloro-1,3,4,5-tetrahydro-1-methyl-

8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one Specification

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