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2,6-Difluorobenzoyl chloride is an organic compound with the chemical formula C7H3ClF2O, featuring a benzene ring with two fluorine atoms at the 2nd and 6th positions and a benzoyl chloride group attached. It is a clear, colorless to light yellow liquid and serves as a versatile chemical intermediate in various industries due to its unique chemical properties.

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  • 18063-02-0 Structure
  • Basic information

    1. Product Name: 2,6-Difluorobenzoyl chloride
    2. Synonyms: LABOTEST-BB LTBB000722;FUROIC ACID;FAC;2,6-DIFLUOROBENZOYL CHLORIDE;2,6-DIFLUOROBENZENE-1-CARBONYL CHLORIDE;2-CARBOXYFURAN;ALPHA-FUROIC ACID;AKOS BBS-00003916
    3. CAS NO:18063-02-0
    4. Molecular Formula: C7H3ClF2O
    5. Molecular Weight: 176.55
    6. EINECS: 241-971-2
    7. Product Categories: Miscellaneous;Acid Halides;Carbonyl Compounds;Organic Building Blocks
    8. Mol File: 18063-02-0.mol
  • Chemical Properties

    1. Melting Point: 128-132 °C(lit.)
    2. Boiling Point: 72-77 °C13 mm Hg(lit.)
    3. Flash Point: 121 °F
    4. Appearance: clear colourless to light yellow liquid
    5. Density: 1.404 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 2.14mmHg at 25°C
    7. Refractive Index: n20/D 1.501(lit.)
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. Water Solubility: REACTS
    11. Sensitive: Moisture Sensitive
    12. BRN: 639438
    13. CAS DataBase Reference: 2,6-Difluorobenzoyl chloride(CAS DataBase Reference)
    14. NIST Chemistry Reference: 2,6-Difluorobenzoyl chloride(18063-02-0)
    15. EPA Substance Registry System: 2,6-Difluorobenzoyl chloride(18063-02-0)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 36/37/38-34-10
    3. Safety Statements: 26-36/37/39-45-28A-16
    4. RIDADR: UN 2920 8/PG 2
    5. WGK Germany: 3
    6. RTECS: LV1763000
    7. F: 21
    8. HazardClass: 8
    9. PackingGroup: II
    10. Hazardous Substances Data: 18063-02-0(Hazardous Substances Data)

18063-02-0 Usage

Uses

Used in Pharmaceutical Industry:
2,6-Difluorobenzoyl chloride is used as a chemical intermediate for the preparation of a series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-ones, which are important compounds with potential applications in the development of new drugs and pharmaceuticals.
Used in Chemical Synthesis:
In the field of chemical synthesis, 2,6-Difluorobenzoyl chloride is utilized for the regioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridine, a class of compounds with potential applications in various chemical and pharmaceutical processes.
Used in Friedel-Crafts Acylation:
2,6-Difluorobenzoyl chloride is employed as a reagent in the Friedel-Crafts acylation reaction of various aromatic compounds, such as toluene, anisol, thioanisol, 4-phenoxyacetophenone, and N,N-diacetyl-4-phenoxyaniline. This reaction is a crucial method for the synthesis of various organic compounds and contributes to the development of new materials and chemicals.
Used in Perfumery and Flavoring Industry:
2,6-Difluorobenzoyl chloride is used as a furoates compound in the perfume and flavoring industry, where it contributes to the creation of unique and distinct scents and flavors for various products.
Used in Textile Processing:
In the textile industry, 2,6-Difluorobenzoyl chloride is used for its preservative and bactericide properties, helping to enhance the durability and quality of textiles by protecting them from microbial degradation and other forms of damage.
Used in Fumigation:
As a fumigant, 2,6-Difluorobenzoyl chloride is employed in the agricultural and pest control sectors to protect crops and stored products from infestations by insects and other pests, ensuring the preservation of food and other commodities.

Check Digit Verification of cas no

The CAS Registry Mumber 18063-02-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,0,6 and 3 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 18063-02:
(7*1)+(6*8)+(5*0)+(4*6)+(3*3)+(2*0)+(1*2)=90
90 % 10 = 0
So 18063-02-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H8O2/c1-2-3-7-4-6-5-8-6/h1,6H,3-5H2

18063-02-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
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  • Alfa Aesar

  • (A11286)  2,6-Difluorobenzoyl chloride, 98%   

  • 18063-02-0

  • 5g

  • 266.0CNY

  • Detail
  • Alfa Aesar

  • (A11286)  2,6-Difluorobenzoyl chloride, 98%   

  • 18063-02-0

  • 25g

  • 651.0CNY

  • Detail
  • Alfa Aesar

  • (A11286)  2,6-Difluorobenzoyl chloride, 98%   

  • 18063-02-0

  • 100g

  • 2115.0CNY

  • Detail
  • Aldrich

  • (249408)  2,6-Difluorobenzoylchloride  99%

  • 18063-02-0

  • 249408-25G

  • 650.52CNY

  • Detail
  • Aldrich

  • (249408)  2,6-Difluorobenzoylchloride  99%

  • 18063-02-0

  • 249408-100G

  • 3,067.74CNY

  • Detail

18063-02-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,6-Difluorobenzoyl chloride

1.2 Other means of identification

Product number -
Other names chloride of 2,6-difluorobenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:18063-02-0 SDS

18063-02-0Relevant articles and documents

Structure-activity relationship study and discovery of indazole 3-carboxamides as calcium-release activated calcium channel blockers

Bai, Sha,Nagai, Masazumi,Koerner, Steffi K.,Veves, Aristidis,Sun, Lijun

, p. 393 - 397 (2017)

Aberrant activation of mast cells contributes to the development of numerous diseases including cancer, autoimmune disorders, as well as diabetes and its complications. The influx of extracellular calcium via the highly calcium selective calcium-release activated calcium (CRAC) channel controls mast cell functions. Intracellular calcium homeostasis in mast cells can be maintained via the modulation of the CRAC channel, representing a critical point for therapeutic interventions. We describe the structure-activity relationship study (SAR) of indazole-3-carboxamides as potent CRAC channel blockers and their ability to stabilize mast cells. Our SAR results show that the unique regiochemistry of the amide linker is critical for the inhibition of calcium influx, the release of the pro-inflammatory mediators β-hexosaminidase and tumor necrosis factor α by activated mast cells. Thus, the indazole-3-carboxamide 12d actively inhibits calcium influx and stabilizes mast cells with sub-μM IC50. In contrast, its reverse amide isomer 9c is inactive in the calcium influx assay even at 100?μM concentration. This requirement of the specific 3-carboxamide regiochemistry in indazoles is unprecedented in known CRAC channel blockers. The new structural scaffolds described in this report expand the structural diversity of the CRAC channel blockers and may lead to the discovery of novel immune modulators for the treatment of human diseases.

Synthesis, structural characterization and antimycobacterial evaluation of several halogenated non-nitro benzothiazinones

Madikizela, Balungile,Eckhardt, Tamira,Goddard, Richard,Richter, Adrian,Lins, Anika,Lehmann, Christoph,Imming, Peter,Seidel, Rüdiger W.

, p. 1523 - 1533 (2021/06/14)

8-Nitro-1,3-benzothiazin-4-ones (BTZs), with BTZ043 and PBTZ169 as the most advanced compounds, represent a new class of potent antitubercular agents, which irreversibly inhibit decaprenylphosphoryl-β-d-ribose-2′-epimerase (DprE1), an enzyme crucial for c

PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF

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Paragraph 1176-1178, (2021/04/23)

The present disclosure relates to compounds of Formula (I) and (II): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for modulating H1 and 5-HT2A receptors and are to be used in the treatment of sleep disorders, such as sleep fragmentation, disturbed sleep/arousals, and arousal threshold.

Preparation method and application of tetrahydrobenzothiophene compound and pharmaceutical composition

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Paragraph 0133; 0136-0137; 0232; 0235-0236, (2021/10/16)

The invention belongs to the field of medicines, and particularly relates to a tetrahydrobenzothiophene compound as well as a pharmaceutical composition and a preparation method and application thereof. The tetrahydrobenzothiophene compound is a compound I as shown I. In-flight R1 And R2 The C1 -4 is a saturated/unsaturated hydrocarbon group. - OCH3 , OCH2 CH3 Phenyl, substituted phenyl, NO2 One - COR of - OH - F, Cl - Br. I - H R1 AND R2 Or different. R3 It is-F. - Cl, Br, I, OH, Amino, C1 -4 saturated/unsaturated hydrocarbon group, OCH3 , OCH2 CH3 , H, Wherein one of them is, n ≥ 5, n Being an integer. The compound effectively inhibits salmonella by inhibiting the synthesis of ATP-dependent transporter in the lipopolysaccharide synthesis pathway. Aeruginosa, escherichia coli and staphylococcus aureus.

Hit-to-Lead Optimization of Benzoxazepinoindazoles As Human African Trypanosomiasis Therapeutics

Klug, Dana M.,Tschiegg, Laura,Diaz, Rosario,Rojas-Barros, Domingo,Perez-Moreno, Guiomar,Ceballos, Gloria,García-Hernández, Raquel,Martinez-Martinez, Maria Santos,Manzano, Pilar,Ruiz, Luis Miguel,Caffrey, Conor R.,Gamarro, Francisco,Pacanowska, Dolores Gonzalez,Ferrins, Lori,Navarro, Miguel,Pollastri, Michael P.

, p. 2527 - 2546 (2019/11/28)

Human African trypanosomiasis (HAT) is a neglected tropical disease caused by infection with either of two subspecies of the parasite Trypanosoma brucei. Due to a lack of economic incentive to develop new drugs, current treatments have severe limitations in terms of safety, efficacy, and ease of administration. In an effort to develop new HAT therapeutics, we report the structure-activity relationships around T. brucei for a series of benzoxazepinoindazoles previously identified through a high-throughput screen of human kinase inhibitors, and the subsequent in vivo experiments for HAT. We identified compound 18, which showed an improved kinase selectivity profile and acceptable pharmacokinetic parameters, as a promising lead. Although treatment with 18 cured 60% of mice in a systemic model of HAT, the compound was unable to clear parasitemia in a CNS model of the disease. We also report the results of cross-screening these compounds against T. cruzi, L. donovani, and S. mansoni.

Fluorobenzobishydrazide azole compound and application thereof

-

Paragraph 0021-0024, (2020/06/09)

The invention discloses a fluorobenzobishydrazide azole azole compound. The compound has a structure as shown in a general formula I which is described in the specification. In the general formula I,Ph is one selected from substances as described in the s

Design, synthesis, and bioactivities of novel pyridazinone derivatives containing 2-phenylthiazole or oxazole skeletons

Dang, Mingming,Liu, Minhua,Huang, Lu,Ou, Xiaoming,Long, Chuyun,Liu, Xingping,Ren, Yeguo,Zhang, Ping,Huang, Mingzhi,Liu, Aiping

, p. 4088 - 4098 (2020/10/02)

A series of novel pyridazinone derivatives were designed and synthesized by replacing 4-(tert-butyl)phenyl moiety of pyridaben with 2-phenylthiazole or oxazole fragments via activity substructure connecting approach. The structures of all target compounds were characterized through NMR, MS, and elemental analysis. Bioassay results exhibit that most compounds showed potent bioactivities against Aphis fabae, Tetranychus urticae, Erysiphe graminis, and/or Puccinia polysora. Among the newly synthesized compounds, 2-(tert-butyl)-4-chloro-5-(((2-phenylthiazol-4-yl)methyl)thio)pyridazin-3(2H)-one (12b) displays remarkable insecticidal activity against A fabae. Its LC50 value (2.73 mg/L) is better than that of pyridaben (5.46 mg/L), although inferior to that of imidacloprid (0.51 mg/L). In addition to its extraordinary insecticidal activity, compound 12b also exerts 96.9% fungicidal activities against P polysora at 500 mg/L in vivo, significantly superior to that of pyridaben (50.0%), while slightly lower than that of tebuconazole (100%). This article discusses the synthesis, bioassay results, and structure-activity relationship of this series of novel pyridazinone derivatives.

Synthesis and bioactivities of diamide derivatives containing a phenazine-1-carboxamide scaffold

Zhu, Xiang,Zhang, Min,Yu, Linhua,Xu, Zhihong,Yang, Dan,Du, Xiaoying,Wu, Qinglai,Li, Junkai

supporting information, p. 2453 - 2460 (2018/03/29)

Taking natural product phenazine-1-carboxamide (PCN) as a lead compound, a series of novel phenazine-1-carboxylic acid diamide derivatives were designed and synthesised. Their structures were confirmed by 1H-NMR and HRMS. The bioassays showed that some of the target compounds exhibited promising in vitro fungicidal activities, and exhibited excellent and selective herbicidal activities. Particularly, compounds c, h, o and s displayed root length inhibition activities against barnyard grass with the rate of more than 80%. Compound c exhibited the best activity among all the target compounds against barnyard grass stalk length with the IC50 value of 0.158?mmol/L, and compound o exhibited the best and wide spectrum inhibition against barnyard grass root length and rape in both root length and stalk length herbicidal activities with its IC50 values of 0.067, 0.048 and 0.059?mmol/L respectively. The analysis of preliminary Structure-Activity Relationships provides the theoretical basis for further design of phenazine-1-carboxylic acid.

HETEROCYCLIC COMPOUNDS AS PESTICIDES

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Page/Page column 92, (2019/06/17)

The present application relates to heterocyclic compounds of formula (I), wherein A is phenyl or pyridine, Z is a 5-membered heterocycle and B is pyridine, pyrimidine or pyridazine, as well as compositions containing such compounds, their use for controll

Phenazine-1-carboxylic acid bisamide compounds and application thereof

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Paragraph 0067; 0068; 0069; 0070, (2018/03/28)

The invention provides phenazine-1-carboxylic acid bishydrazide compounds and an application thereof, and belongs to the technical field of preparation of pesticide compounds; the general formula of the compounds has the following structure defined in the specification, wherein R is saturated C2-C6 straight-chain or branched-chain alkyl, unsaturated C2-C6 alkyl, halogen substituted C2-C6 hydrocarbonyl, C3-C8 cycloalkyl, and substituted phenyl containing one or more saturated or unsaturated hydrocarbonyl, alkoxy, halogen, fluorine-containing methyl, nitryl, cyano group, ester group, ketone group and formyl group, substituted pyridyl, substituted furyl, substituted pyrimidyl, substituted pyrazolyl, substituted thiazolyl, substituted thienyl, substituted imidazolyl or substituted triazolyl. The phenazine-1-dihydrazine carboxylic acid compounds have novel structure, can be used for prevention and treatment of diseases on crops and weeds and have market application prospects.

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