3-Chlorobenzamide

Base Information

• Chemical Name: 3-Chlorobenzamide
• CAS No.: 618-48-4
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.584
• Hs Code.: 29242990
• European Community (EC) Number: 210-554-7
• DSSTox Substance ID: DTXSID10210799
• Nikkaji Number: J95.383K
• Wikidata: Q27108665
• Metabolomics Workbench ID: 67845
• ChEMBL ID: CHEMBL419245
• Mol file: 618-48-4.mol

Synonyms:3-Chlorobenzamide;618-48-4;m-Chlorobenzamide;Benzamide, 3-chloro-;3-Chloro-benzamide;Benzamide, m-chloro-;EINECS 210-554-7;BRN 1859940;MFCD00014799;Benzamide, m-chloro- (8CI);CHEMBL419245;CHEBI:10587;5-chlorobenzamide;SCHEMBL283924;SCHEMBL11557655;DTXSID10210799;HMS1780A07;3-CHLOROBENZAMIDE, AldrichCPR;STR00492;BDBM50106202;AKOS001129740;SB76053;LS-26021;SY030316;CS-0151380;FT-0615454;EN300-29411;D70126;A833448;J-512310;Q27108665;Z33546479;WCE

Chemical Property of 3-Chlorobenzamide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.00563mmHg at 25°C
• Melting Point: 133-137 °C
• Refractive Index: 1.582
• Boiling Point: 273.7 °C at 760 mmHg
• PKA: 15.41±0.50(Predicted)
• Flash Point: 119.4 °C
• PSA: 43.09000
• Density: 1.295 g/cm³
• LogP: 2.13920
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chlorobenzamide

There total 34 articles about 3-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%

3-chloro-benzonitrile (766-84-7) → 3-chlorobenzamide (618-48-4)

Guidance literature:

With water; potassium carbonate; at 150 ℃; for 0.25h; Microwave irradiation;

DOI:10.1039/c2gc16637b

Reference yield: 96.0%

3-chloro-benzonitrile (766-84-7) → 3-chlorobenzamide (618-48-4) + 3-chlorobenzoate (535-80-8)

Guidance literature:

With potassium hydroxide; In toluene; at 150 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tet.2008.03.028

Reference yield: 95.0%

m-Chlorobenzoyl fluoride (77976-05-7) → 3-chlorobenzamide (618-48-4)

Guidance literature:

With chloro-trimethyl-silane; lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

DOI:10.1055/a-1649-5460

upstream raw materials:

m-Chlorobenzoyl chloride

urea

3-chlorobenzoate

3-chloro-benzonitrile

Downstream raw materials:

1-(m-chlorophenyl)-2-phenylethanone

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

m-chlorobenzyl alcohol

m-Chlorobenzaldehyde

Refernces

• 1、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.
• 2、 -. "Method for preparing primary and secondary amide compounds". Paragraph 0046-0056. . Retrieved 2021/02/06.