α-Chloro-3'-nitroacetophenone

Base Information

• Chemical Name: α-Chloro-3'-nitroacetophenone
• CAS No.: 99-47-8
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.594
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10870438
• Nikkaji Number: J55.021C
• Mol file: 99-47-8.mol

Synonyms:Acetophenone, 2-chloro-m-nitro-;2-Chloro-m-nitroacetophenone;2-chloro-1-(3-nitrophenyl)ethanone;99-47-8;USAF MA-8;BRN 1958853;alpha-Chloro-m-nitro-acetophenone;3-07-00-00996 (Beilstein Handbook Reference);SCHEMBL3910668;DTXSID10870438;alpha-chloro-meta -nitroacetophenone;.alpha.-Chloro-m-nitro-acetophenone;2-CHLORO-3'-NITROACETOPHENONE;AKOS002392958;2-Chloro-1-(3-nitrophenyl)ethan-1-one

Chemical Property of α-Chloro-3'-nitroacetophenone

Chemical Property:

• Vapor Pressure: 0.00303mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 284.2°Cat760mmHg
• Flash Point: 125.7°C
• PSA: 62.89000
• Density: 1.384g/cm³
• LogP: 2.53950
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-M-NITROACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCl

Technology Process of α-Chloro-3'-nitroacetophenone

There total 12 articles about α-Chloro-3'-nitroacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 45.8%

1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 2-chloro-1-(3-nitrophenyl)ethanone (99-47-8) + 2-chloro-2'-nitroacetophenone (113337-37-4)

Guidance literature:

With sulfuric acid; guanidine nitrate; at -20 ℃; for 30h;

DOI:10.1016/j.molcatb.2013.07.021

Reference yield:

3-nitrophenylacetylene (3034-94-4) + acetic acid (64-19-7,77671-22-8) → 2-chloro-1-(3-nitrophenyl)ethanone (99-47-8) + 2,2-dichloro-1-(3-nitrophenyl)ethan-1-one (27700-44-3) + 3-Nitroacetophenone (121-89-1)

Guidance literature:

With perchloric acid; at 40 ℃; Rate constant; Product distribution; Mechanism;

Reference yield:

3-nitrophenylacetylene (3034-94-4) + acetic acid (64-19-7,77671-22-8) → 2-chloro-1-(3-nitrophenyl)ethanone (99-47-8) + 2,2-dichloro-1-(3-nitrophenyl)ethan-1-one (27700-44-3) + 1-Chloroethynyl-3-nitro-benzene (84553-18-4) + 1-((Z)-1,2-Dichloro-vinyl)-3-nitro-benzene (84553-30-0) + 2-Chloro-1-(3-nitro-phenyl)-butane-1,3-dione (84553-25-3) + 3-Nitroacetophenone (121-89-1)

Guidance literature:

With perchloric acid; at 0 - 40 ℃; Kinetics; Mechanism;

DOI:10.1016/S0040-4039(00)87647-9

upstream raw materials:

diazomethane

m-nitrobenzoic acid chloride

1-chloroacetophenone

1-nitro-3-vinyl-benzene

Downstream raw materials:

7-chloro-2-(3-nitro-phenyl)-3H-pyrido[2,3-b][1,4]thiazine

6-Cyclohexyl-4-[2-(3-nitro-phenyl)-2-oxo-ethyl]-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione

3-nitrobenzoic acid

acetic acid-(3-chloroacetyl-anilide)