2-Fluoro-5-nitrobenzoyl chloride

Base Information

• Chemical Name: 2-Fluoro-5-nitrobenzoyl chloride
• CAS No.: 709-46-6
• Molecular Formula: C7H3ClFNO3
• Molecular Weight: 203.557
• Hs Code.: 2916399090
• European Community (EC) Number: 812-782-8
• DSSTox Substance ID: DTXSID80450448
• Nikkaji Number: J1.485.194A
• Wikidata: Q82270179
• Mol file: 709-46-6.mol

Synonyms:2-Fluoro-5-nitrobenzoyl chloride;709-46-6;2-fluoro-5-nitro-benzoyl Chloride;2-Fluoro-5-nitrobenzoylchloride;3-(Chlorocarbonyl)-4-fluoronitrobenzene;SCHEMBL284069;DTXSID80450448;SXJNRYPVXFTJOU-UHFFFAOYSA-N;MFCD08458077;2-Fluoro-5-nitrobenzoic acid chloride;3-(Chloroformyl)-4-fluoronitrobenzene;FS-4588;FT-0754749;C13382

Chemical Property of 2-Fluoro-5-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Melting Point: 60-61 °C
• Boiling Point: 273.644oC at 760 mmHg
• Flash Point: 119.296oC
• PSA: 62.89000
• Density: 1.543g/cm3
• LogP: 2.63610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.9785488
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

98%Min ^*data from raw suppliers

2-Fluoro-5-nitrobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)F

Technology Process of 2-Fluoro-5-nitrobenzoyl chloride

There total 8 articles about 2-Fluoro-5-nitrobenzoyl 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: 100.0%

2-fluoro-5-nitrobenzoic acid (7304-32-7) → 2-fluoro-5-nitrobenzoyl chloride (709-46-6)

Guidance literature:

With thionyl chloride; In toluene; at 80 ℃; for 12h;

DOI:10.3390/molecules25061451

Reference yield: 100.0%

oxalyl dichloride (79-37-8) + 2-fluoro-5-nitrobenzoic acid (7304-32-7) → 2-fluoro-5-nitrobenzoyl chloride (709-46-6) + 4-fluoro-3-(5-methyl-benzooxazol-2-yl)-phenylamine (423754-97-6)

Guidance literature:

In tetrahydrofuran; N-methyl-acetamide; dichloromethane;

Reference yield:

2-thienyl chloride (96-43-5) + 2-fluoro-5-nitrobenzoic acid (7304-32-7) → 2-fluoro-5-nitrobenzoyl chloride (709-46-6)

Guidance literature:

In benzene;

upstream raw materials:

2-Fluor-5-nitrophenylchloroform

2-fluoro-5-nitrobenzoic acid

o-fluoro-benzoic acid

α,α,α-trichloro-2-fluorotoluene

Downstream raw materials:

5-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide

5-(cyclopropanesulfonamido)-N-(3,4-difluorophenyl)-2-fluorobenzamide

N-(3,4-difluorophenyl)-2-fluoro-5-(2-methylpropylsulfonamido)benzamide

Refernces

• 1、 Zhang, Ling,Liu, Huizhen,Wu, Chunli,Zheng, Youguang,Kai, Xiaoning,Xue, Yunsheng. "A near-infrared fluorescent probe that can image endogenous hydrogen polysulfidesin vivoin tumour-bearing mice". . p. 911 - 919. Retrieved 2021.
• 2、 Nagle, Advait,Biggart, Agnes,Be, Celine,Srinivas, Honnappa,Hein, Andreas,Caridha, Diana,Sciotti, Richard J.,Pybus, Brandon,Kreishman-Deitrick, Mara,Bursulaya, Badry,Lai, Yin H.,Gao, Mu-Yun,Liang, Fang,Mathison, Casey J.N.,Liu, Xiaodong,Yeh, Vince,Smith, Jeffrey,Lerario, Isabelle,Xie, Yongping,Chianelli, Donatella,Gibney, Michael,Berman, Ashley,Chen, Yen-Liang,Jiricek, Jan,Davis, Lauren C.,Liu, Xianzhong,Ballard, Jaime,Khare, Shilpi,Eggimann, Fabian Kurt,Luneau, Alexandre,Groessl, Todd,Shapiro, Michael,Richmond, Wendy,Johnson, Kevin,Rudewicz, Patrick J.,Rao, Srinivasa P.S.,Thompson, Christopher,Tuntland, Tove,Spraggon, Glen,Glynne, Richard J.,Supek, Frantisek,Wiesmann, Christian,Molteni, Valentina. "Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases". . p. 10773 - 10781. Retrieved 2020.
• 3、 Ma, Jianhua,Fan, Jiangli,Li, Haidong,Yao, Qichao,Xu, Feng,Wang, Jingyun,Peng, Xiaojun. "A NIR fluorescent chemodosimeter for imaging endogenous hydrogen polysulfides via the CSE enzymatic pathway". . p. 2574 - 2579. Retrieved 2017.
• 4、 -. "Polyhydrogen sulfide fluorescent probe as well as preparation method and application thereof". Paragraph 0081; 0086; 0087. . Retrieved 2021/08/11.
• 5、 Barthels, Fabian,Distler, Ute,Engels, Bernd,Hellmich, Ute A.,Johe, Patrick,Jung, Sascha,Kühlborn, Jonas,Klein, Philipp,Opatz, Till,Schirmeister, Tanja,Tenzer, Stefan,Wagner, Annika,Waigel, Waldemar. "New cysteine protease inhibitors: Electrophilic (Het)arenes and unexpected prodrug identification for the trypanosoma protease rhodesain". supporting information. . Retrieved 2020/03/27.