2-Chlorobenzamide

Base Information

• Chemical Name: 2-Chlorobenzamide
• CAS No.: 609-66-5
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• Hs Code.: 2924299090
• European Community (EC) Number: 210-195-6
• NSC Number: 406895
• UNII: KE1M5I9I32
• DSSTox Substance ID: DTXSID3052278
• Nikkaji Number: J29.503E
• Wikidata: Q27282208
• ChEMBL ID: CHEMBL3561242
• Mol file: 609-66-5.mol

Synonyms:2-chlorobenzamide

Chemical Property of 2-Chlorobenzamide

Chemical Property:

• Appearance/Colour: Almost white powder and chunks.
• Vapor Pressure: 0.00521mmHg at 25°C
• Melting Point: 142-144 ºC(lit.)
• Refractive Index: 1.5618 (estimate)
• Boiling Point: 275ºC
• PKA: 15.36±0.50(Predicted)
• Flash Point: 120.1 ºC
• PSA: 43.09000
• Density: 1.295 g/cm³
• LogP: 2.13920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• 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:

99.9% ^*data from raw suppliers

2-Chlorobenzamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chlorobenzamide

There total 50 articles about 2-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%

2-Chlorobenzonitrile (873-32-5) → 2-chlorobenzamide (609-66-5)

Guidance literature:

With manganese(IV) oxide; silica gel; for 0.0666667h; microwave irradiation;

DOI:10.1081/SCC-120004268

Reference yield: 97.0%

2-Chlorobenzonitrile (873-32-5) → 2-chlorobenzamide (609-66-5) + ortho-chlorobenzoic acid (118-91-2)

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%

2-Chlorobenzyl alcohol (17849-38-6) → 2-chlorobenzamide (609-66-5)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; In water; at 100 ℃; for 16h;

DOI:10.1039/c3gc40668g

upstream raw materials:

ethyl 2-chlorobenzoate

2-chloro-benzimidic acid ethyl ester; hydrochloride

2-chloro-benzaldehyde

o-chlorobenzoyl chloride

Downstream raw materials:

C₁₀H₈ClNO

2,2'-dithiobisbenzamide

2-Chlorobenzonitrile

(2-chlorophenyl)methanamine monohydrochloride

Refernces

• 1、 Kondo et al.. "-". . p. 3206. Retrieved 1972.
• 2、 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.
• 3、 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.