trans-3-Chloro-4'-nitroacrylophenone

Base Information

Chemical Name:trans-3-Chloro-4'-nitroacrylophenone
CAS No.:15787-87-8
Molecular Formula:C9H6 Cl N O3
Molecular Weight:211.605
Hs Code.:2914700090
Nikkaji Number:J73.346F,J2.992.669G
Wikidata:Q76324666
Mol file:15787-87-8.mol

Synonyms:trans-3-Chloro-4'-nitroacrylophenone;15787-87-8;(E)-3-chloro-1-(4-nitrophenyl)prop-2-en-1-one;ACRYLOPHENONE, 3-CHLORO-4'-NITRO-, (E)-;(E)-beta-Chloro-4/'-nitroacrylophenone;SCHEMBL2561307;AKOS024373523;(E)-beta-Chloro-4'-nitroacrylophenone;trans-3-Chloro-4/'-nitroacrylophenone;LS-14788;1-(4-Nitrophenyl)-3-chloro-2-propene-1-one

Suppliers and Price of trans-3-Chloro-4'-nitroacrylophenone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of trans-3-Chloro-4'-nitroacrylophenone

Chemical Property:

Vapor Pressure:7.66E-05mmHg at 25°C
Melting Point:92 °C
Boiling Point:342.2°C at 760 mmHg
Flash Point:160.7°C
PSA：62.89000
Density:1.371g/cm³
LogP:3.05320
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.0036207
Heavy Atom Count:14
Complexity:251

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C=CCl)[N+](=O)[O-]
Isomeric SMILES:C1=CC(=CC=C1C(=O)/C=C/Cl)[N+](=O)[O-]

Technology Process of trans-3-Chloro-4'-nitroacrylophenone

There total 3 articles about trans-3-Chloro-4'-nitroacrylophenone 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:

: 122-04-3
4-nitro-benzoyl chloride

: 74-86-2,25067-58-7
acetylene

: 15787-87-8
3-chloro-1-(4-nitro-phenyl)-propenone

Guidance literature:: With aluminium trichloride; In 1,2-dichloro-ethane; at 40 - 60 ℃; for 6h; Yield given;

Reference yield:

: 51673-61-1
3-oxo-3-(4'-nitrophenyl)-propionaldehyde

: 15787-87-8
3-chloro-1-(4-nitro-phenyl)-propenone

Guidance literature:: With thionyl chloride; In benzene; Inert atmosphere;
DOI:10.1002/hlca.201000386

Reference yield:

: 100-19-6
(4-nitrophenyl)ethanone

: 15787-87-8
3-chloro-1-(4-nitro-phenyl)-propenone

Guidance literature:: Multi-step reaction with 2 steps

1.1: methanol; sodium hydride / diethyl ether / 0.67 h / 5 - 10 °C / Inert atmosphere

1.2: Cooling; Inert atmosphere

2.1: thionyl chloride / benzene / Inert atmosphere

With methanol; thionyl chloride; sodium hydride; In diethyl ether; benzene;
DOI:10.1002/hlca.201000386