4-Chlorobenzamide

Base Information

• Chemical Name: 4-Chlorobenzamide
• CAS No.: 619-56-7
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• Hs Code.: 2924299090
• European Community (EC) Number: 210-601-1
• NSC Number: 406894,74687
• UNII: 260CV6K0MR
• DSSTox Substance ID: DTXSID50210930
• Nikkaji Number: J29.502G
• Wikidata: Q27254022
• ChEMBL ID: CHEMBL121999
• Mol file: 619-56-7.mol

Synonyms:4-CHLOROBENZAMIDE;619-56-7;Benzamide, 4-chloro-;p-Chlorobenzamide;Benzamide, p-chloro-;4-Chloro-benzamide;p-Chlorobenzoic acid amide;4-ChlorobenzaMide--d4;EINECS 210-601-1;BRN 0774622;UNII-260CV6K0MR;AI3-09668;260CV6K0MR;CHEMBL121999;MFCD00007993;NSC-74687;NSC-406894;Benzamide, p-chloro- (6CI,7CI,8CI);4-09-00-00985 (Beilstein Handbook Reference);1219794-65-6;NSC74687;4-chloranylbenzamide;4-chlorobenzenecarboxamide;4-Chlorobenzamide, 98%;SCHEMBL77931;SCHEMBL8269185;DTXSID50210930;AM9945;BDBM50106192;NSC 74687;NSC406894;STL283912;AKOS000266483;CS-W019519;NSC 406894;SB75806;AC-10270;LS-26022;SY048513;FT-0618169;A833504;W-109581;Q27254022;F3147-3719

Chemical Property of 4-Chlorobenzamide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0021mmHg at 25°C
• Melting Point: 177-181 ºC
• Refractive Index: 1.5618 (estimate)
• Boiling Point: 290.2 °C at 760 mmHg
• PKA: 15.71±0.50(Predicted)
• Flash Point: 129.3 °C
• PSA: 43.09000
• Density: 1.295 g/cm³
• LogP: 2.13920
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: slightly soluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/22-36-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chlorobenzamide

There total 109 articles about 4-Chlorobenzamide 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: 99.0%

4-chlorobenzaldehyde (104-88-1) → 4-chlorobenzamide (619-56-7)

Guidance literature:

With manganese(IV) oxide; ammonia; In dichloromethane; at 40 ℃; for 24h; under 760.051 Torr; Molecular sieve;

DOI:10.1039/c4ob01166j

Reference yield: 99.0%

4-chlorobenzaldoxime (3848-36-0) → 4-chlorobenzamide (619-56-7)

Guidance literature:

With 4-Cyanochlorobenzene; chloro(η⁴-1,5-cyclooctadiene)(1,3-dimesitylimidazol-2-ylidene)rhodium(I); toluene-4-sulfonic acid; In toluene; at 80 ℃; for 6h;

DOI:10.1002/adsc.200900251

Reference yield: 99.0%

para-Chlorobenzyl alcohol (873-76-7) → 4-chlorobenzamide (619-56-7)

Guidance literature:

With ammonium hydroxide; manganese(IV) oxide; oxygen; at 130 ℃; for 24h; under 11251.1 Torr; Autoclave;

DOI:10.1016/S1872-2067(21)63803-2

upstream raw materials:

4-Cyanochlorobenzene

1-(4-chloro-phenyl)-propane-1,2-dione-1-oxime

4-aminobenzamide

4-chloro-benzoyl chloride

Downstream raw materials:

5-(4-chlorophenyl)-1,3,4-oxathiazol-2-one

N-(2,2,2-trichloro-1-hydroxyethyl)-4-chlorobenzamide

4-Chloro-N-(3-oxo-butyryl)-benzamide

5-Acetyl-3-benzyl-6-(4-chloro-phenyl)-1H-pyrimidine-2,4-dione

Refernces

• 1、 Zhou, Liandi,Liu, Wei,Zhao, Yongli,Chen, Junmin. "Cu(II)-promoted oxidative C-N bond cleavage of N-benzoylamino acids to primary aryl amides". . p. 52 - 62. Retrieved 2021/02/06.
• 2、 Gr?ger, Harald,Nonnhoff, Jannis. "Process Development of the Copper(II)-Catalyzed Dehydration of a Chiral Aldoxime and Rational Selection of the Co-Substrate". . . Retrieved 2021/12/14.