Products Categories
| CAS No.: | 85590-94-9 |
|---|---|
| Name: | N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloroacetamide |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H10ClNO4 |
| Molecular Weight: | 255.658 |
| Synonyms: | N-(6-Acetyl(2H-benzo[d]1,3-dioxolen-5-yl))-2-chloroacetamide;N-(6-Acetylbenzo[d]1,3-dioxolen-5-yl)-2-chloroacetamide;N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-chloroacetamide; |
| Density: | 1.447 g/cm3 |
| Boiling Point: | 482.3 °C at 760 mmHg |
| Flash Point: | 245.5 °C |
| PSA: | 64.63000 |
| LogP: | 1.86820 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:9 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-, with the CAS registry number 85590-94-9, is also known as N-(6-Acetylbenzo[d]1,3-dioxolen-5-yl)-2-chloroacetamide. This chemical's molecular formula is C11H10ClNO4 and molecular weight is 255.65. What's more, its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloroacetamide.
Physical properties of Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.77; (6)ACD/BCF (pH 7.4): 13.77; (7)ACD/KOC (pH 5.5): 227.49; (8)ACD/KOC (pH 7.4): 227.46; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 61.56 cm3; (15)Molar Volume: 176.6 cm3; (16)Polarizability: 24.4×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 245.5 °C; (20)Enthalpy of Vaporization: 74.72 kJ/mol; (21)Boiling Point: 482.3 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-09 mmHg at 25°C.
Preparation of Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-: this chemical can be prepared by chloroacetyl chloride, 1-(6-amino-benzo[1,3]dioxol-5-yl)-ethanone at the ambient temperature. This reaction will need reagent Na2CO3 and solvent CH2Cl2 with the reaction time of 30 min. The yield is about 92%.
![Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro- can be prepared by chloroacetyl chloride, 1-(6-amino-benzo[1,3]dioxol-5-yl)-ethanone at the ambient temperature](/UserFilesUpload/Preparation of Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-.jpg)
Uses of Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-: it can be used to produce N-(6-acetyl-benzo[1,3]dioxol-5-yl)-2-benzylamino-acetamide by heating. It will need solvent acetonitrile with the reaction time of 3 hours. The yield is about 60%.
![Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro- can be used to produce N-(6-acetyl-benzo[1,3]dioxol-5-yl)-2-benzylamino-acetamide by heating](/UserFilesUpload/Uses of Acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-.jpg)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC2=C(C=C1NC(=O)CCl)OCO2
(2)InChI: InChI=1S/C11H10ClNO4/c1-6(14)7-2-9-10(17-5-16-9)3-8(7)13-11(15)4-12/h2-3H,4-5H2,1H3,(H,13,15)
(3)InChIKey: VFZJXKHAFWSVGO-UHFFFAOYSA-N