1-(4-Chloro-2-nitrophenyl)propan-2-one

Base Information

Chemical Name:1-(4-Chloro-2-nitrophenyl)propan-2-one
CAS No.:6127-13-5
Molecular Formula:C₉H₈ClNO₃
Molecular Weight:213.62
Hs Code.:2914700090
NSC Number:115139
DSSTox Substance ID:DTXSID40297295
Wikidata:Q82038323
Mol file:6127-13-5.mol

Synonyms:1-(4-chloro-2-nitrophenyl)propan-2-one;6127-13-5;NSC115139;SCHEMBL3014357;DTXSID40297295;AKOS012501649;NSC-115139;EN300-1968675

Suppliers and Price of 1-(4-Chloro-2-nitrophenyl)propan-2-one

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

TRC
1-(4-chloro-2-nitrophenyl)propan-2-one
100mg
$ 65.00

Crysdot
1-(4-Chloro-2-nitrophenyl)propan-2-one 95+%
5g
$ 904.00

Chemcia Scientific
1-(4-Chloro-2-nitro-phenyl)-propan-2-one 97%
1 G
$ 125.00

Total 6 raw suppliers

Chemical Property of 1-(4-Chloro-2-nitrophenyl)propan-2-one

Chemical Property:

Vapor Pressure:0.00104mmHg at 25°C
Boiling Point:301.7°Cat760mmHg
Flash Point:136.2°C
PSA：62.89000
Density:1.337g/cm³
LogP:2.90290
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.0192708
Heavy Atom Count:14
Complexity:239

Purity/Quality:

95% ^*data from raw suppliers

1-(4-chloro-2-nitrophenyl)propan-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 1-(4-Chloro-2-nitrophenyl)propan-2-one

There total 6 articles about 1-(4-Chloro-2-nitrophenyl)propan-2-one 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:

: ethyl 2-(2-nitro-4-chlorophenyl)-3-oxobutyrate

: 6127-13-5
1-(4-chloro-2-nitrophenyl)propan-2-one

Guidance literature:: With sulfuric acid; acetic acid; at 0 - 100 ℃; for 8h;

Reference yield:

: 89-61-2
2,5-dichloronitrobenzene

: 6127-13-5
1-(4-chloro-2-nitrophenyl)propan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 4 h / 0 - 80 °C

2: sulfuric acid; acetic acid / 8 h / 0 - 100 °C

With sulfuric acid; caesium carbonate; acetic acid; In N,N-dimethyl-formamide;

Reference yield:

: 71300-08-8
(4-chloro-2-nitro-phenyl)-pyruvic acid

: 6127-13-5
1-(4-chloro-2-nitrophenyl)propan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: aq. H₂O₂, NaOH

2: (i) SOCl₂, (ii) /BRN= 774687/, Mg, EtOH, CCl₄, Et₂O, (iii) aq. H₂SO₄, AcOH

With sodium hydroxide; dihydrogen peroxide;