2-Chloro-6-fluorobenzamide

Base Information

• Chemical Name: 2-Chloro-6-fluorobenzamide
• CAS No.: 66073-54-9
• Molecular Formula: C7H5ClFNO
• Molecular Weight: 173.574
• Hs Code.: 2924299090
• European Community (EC) Number: 266-123-9
• NSC Number: 148353
• DSSTox Substance ID: DTXSID50216275
• Nikkaji Number: J308.923A
• Wikidata: Q72479485
• Mol file: 66073-54-9.mol

Synonyms:2-Chloro-6-fluorobenzamide;66073-54-9;2-Fluoro-6-chlorobenzamide;Benzamide, 2-chloro-6-fluoro-;EINECS 266-123-9;2-chloro-6-fluoro-benzamide;NSC148353;2-fluoro-6-chlorobenzoylaMino;SCHEMBL2867748;DTXSID50216275;MFCD00055436;STL508039;AKOS009139281;JS-4184;NSC 148353;NSC-148353;AC-10775;CS-0150060;FT-0641045;EN300-190645;A835322;W-104773

Chemical Property of 2-Chloro-6-fluorobenzamide

Chemical Property:

• Vapor Pressure: 2.98E-07mmHg at 25°C
• Melting Point: 139-141 °C
• Refractive Index: 1.689
• Boiling Point: 226.2 °C at 760 mmHg
• PKA: 14.63±0.50(Predicted)
• Flash Point: 90.6°C
• PSA: 43.09000
• Density: 1.396 g/cm³
• LogP: 2.27830
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.0043696
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-fluorobenzamide

There total 4 articles about 2-Chloro-6-fluorobenzamide 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: 84.0%

N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine (443-33-4) → 2-chloro-6-fluoro-benzamide (66073-54-9)

Guidance literature:

With [RuCl₂(η²-C₆H₆){P(NMe₂)₃}]; water; at 100 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/om3006917

Reference yield: 80.0%

2-chloro-6-fluorobenzonitrile (668-45-1) → 2-chloro-6-fluoro-benzamide (66073-54-9)

Guidance literature:

With sulfuric acid; at 75 ℃; for 3.5h;

Reference yield:

2-chloro-6-fluorobenzoyl chloride (79455-63-3) → 2-chloro-6-fluoro-benzamide (66073-54-9)

Guidance literature:

With ammonia; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2009.12.014

upstream raw materials:

2-chloro-6-fluorobenzonitrile

2-chloro-6-fluorobenzoyl chloride

N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine

Downstream raw materials:

1-(2-Chloro-6-fluoro-benzoyl)-3-(2-chloro-phenyl)-urea

N-(Bis-methylsulfanyl-methylene)-2,6-difluoro-benzamide

(2-Chloro-6-fluoro-benzoyl)-dithiocarbamic acid methyl ester

C₁₁H₁₂ClFN₂O

Refernces

• 1、 -. "TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS". Page/Page column 64; 65. . Retrieved 2014/01/08.
• 2、 Ahmad, Saleem,Ngu, Khehyong,Miller, Keith J.,Wu, Ginger,Hung, Chen-pin,Malmstrom, Sarah,Zhang, Ge,O'Tanyi, Eva,Keim, William J.,Cullen, Mary Jane,Rohrbach, Kenneth W.,Thomas, Michael,Ung, Thao,Qu, Qinling,Gan, Jinping,Narayanan, Rangaraj,Pelleymounter, Mary Ann,Robl, Jeffrey A.. "Tricyclic dihydroquinazolinones as novel 5-HT2C selective and orally efficacious anti-obesity agents". scheme or table. p. 1128 - 1133. Retrieved 2010/06/15.