2-Chloro-5-cyanobenzoyl chloride

Base Information

Chemical Name:2-Chloro-5-cyanobenzoyl chloride
CAS No.:122483-59-4
Molecular Formula:C8H3 Cl2 N O
Molecular Weight:200.024
Hs Code.:
DSSTox Substance ID:DTXSID80557345
Wikidata:Q82439207
Mol file:122483-59-4.mol

Synonyms:2-chloro-5-cyanobenzoyl chloride;122483-59-4;Benzoyl chloride, 2-chloro-5-cyano- (9CI);2-chloro-5-cyanobenzoylchloride;SCHEMBL21056017;DTXSID80557345;AB8868;MFCD13174395

Suppliers and Price of 2-Chloro-5-cyanobenzoyl chloride

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

Crysdot
2-Chloro-5-cyanobenzoylchloride 97%
5g
$ 1335.00

Crysdot
2-Chloro-5-cyanobenzoylchloride 97%
1g
$ 452.00

Alichem
2-Chloro-5-cyanobenzoylchloride
1g
$ 1460.20

Alichem
2-Chloro-5-cyanobenzoylchloride
500mg
$ 823.15

Total 3 raw suppliers

Chemical Property of 2-Chloro-5-cyanobenzoyl chloride

Chemical Property:

PSA：40.86000
LogP:2.59068
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:198.9591691
Heavy Atom Count:12
Complexity:233

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-cyanobenzoylchloride 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)C(=O)Cl)Cl

Technology Process of 2-Chloro-5-cyanobenzoyl chloride

There total 3 articles about 2-Chloro-5-cyanobenzoyl chloride 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:

: 89891-83-8
2-chloro-5-cyanobenzoic acid

: 122483-59-4
2-chloro-5-cyanobenzoyl chloride

Guidance literature:: With thionyl chloride; In toluene; at 70 ℃; for 1h;
DOI:10.1248/cpb.36.3462

Reference yield:

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 122483-59-4
2-chloro-5-cyanobenzoyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / H₂ gas / platinic oxide / ethanol / Ambient temperature

2: 1.) NaNO₂, 2N HCl; 2.) cuprous cyanide / 1.) water, 0 deg C, 35 min; 2.) water, 60 deg C, 40 min

3: SOCl₂ / toluene / 1 h / 70 °C

With hydrogenchloride; thionyl chloride; hydrogen; copper(l) cyanide; sodium nitrite; platinum(IV) oxide; In ethanol; toluene;
DOI:10.1248/cpb.36.3462

Reference yield:

: 89-54-3
2-chloro-5-aminobenzoic acid

: 122483-59-4
2-chloro-5-cyanobenzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaNO₂, 2N HCl; 2.) cuprous cyanide / 1.) water, 0 deg C, 35 min; 2.) water, 60 deg C, 40 min

2: SOCl₂ / toluene / 1 h / 70 °C

With hydrogenchloride; thionyl chloride; copper(l) cyanide; sodium nitrite; In toluene;
DOI:10.1248/cpb.36.3462