N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide supplier

Name
N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide
EINECS
CAS No. 227199-07-7
Article Data13
CAS DataBase
Density 1.472 g/cm³
Solubility
Melting Point 155-156 °C
Formula C₉H₈ClNO₃
Boiling Point 399.5 °C at 760 mmHg
Molecular Weight 213.62
Flash Point 195.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide 97%;
PSA 47.56000
LogP 1.66560

N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide Specification

The N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide, with the CAS registry number of 227199-07-7, is also known as N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide 97%. This chemical's molecular formula is C₉H₈ClNO₃ and molecular weight is 213.62. What's more, its IUPAC name is N-(1,3-Benzodioxol-5-yl)-2-chloroacetamide.

Physical properties about the N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.6; (6)ACD/BCF (pH 7.4): 14.6; (7)ACD/KOC (pH 5.5): 237.18; (8)ACD/KOC (pH 7.4): 237.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 51.53 cm³; (15)Molar Volume: 145 cm³; (16)Surface Tension: 60.6 dyne/cm; (17)Density: 1.472 g/cm³; (18)Flash Point: 195.4 °C; (19)Enthalpy of Vaporization: 65.02 kJ/mol; (20)Boiling Point: 399.5 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)Nc1ccc2OCOc2c1
(2) InChI: InChI=1/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
(3) InChIKey: HBIYZYYNHWRQMC-UHFFFAOYAD

Product Name

N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide

N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide Specification

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