4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one supplier

Name
4-(2'-BROMOETHYL)-3-CHLORO-1,3-DIHYDRO-2H-INDOLE-2-ONE
EINECS 1308068-626-2
CAS No. 120427-95-4
Article Data5
CAS DataBase
Density 1.647 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrClNO
Boiling Point 374.736 °C at 760 mmHg
Molecular Weight 274.545
Flash Point 180.434 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-indol-2-one, 4-(2-bromoethyl)-3-chloro-1,3-dihydro-;4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one;
PSA 29.10000
LogP 2.99400

4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one Specification

The 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one, with the CAS registry number 120427-95-4, is also called 2H-indol-2-one, 4-(2-bromoethyl)-3-chloro-1,3-dihydro-. It belongs to the product categories of Pharmaceutical material and intermeidates. And the molecular formula of the chemical is C₁₀H₉BrClNO.

The characteristics of 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one are as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 318; (8)ACD/KOC (pH 7.4): 318; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 59.523 cm³; (15)Molar Volume: 166.645 cm³; (16)Polarizability: 23.597×10^-24cm³; (17)Surface Tension: 55.073 dyne/cm; (18)Density: 1.647 g/cm³; (19)Flash Point: 180.434 °C; (20)Enthalpy of Vaporization: 62.216 kJ/mol; (21)Boiling Point: 374.736 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCc1cccc2c1C(Cl)C(=O)N2
(2)InChI: InChI=1/C10H9BrClNO/c11-5-4-6-2-1-3-7-8(6)9(12)10(14)13-7/h1-3,9H,4-5H2,(H,13,14)
(3)InChIKey: FUHGGNYHOLHJRR-UHFFFAOYAQ

Product Name

4-(2'-BROMOETHYL)-3-CHLORO-1,3-DIHYDRO-2H-INDOLE-2-ONE

4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one Specification

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