Cas no 94695-48-4 (2,3,4,5-Tetrafluorobenzoyl chloride)

2,3,4,5-Tetrafluorobenzoyl chloride structure
94695-48-4 structure
Product Name:2,3,4,5-Tetrafluorobenzoyl chloride
CAS No:94695-48-4
MF:C7HClF4O
MW:212.528855085373
MDL:MFCD00075164
CID:61741
PubChem ID:24860650
Update Time:2024-10-25

2,3,4,5-Tetrafluorobenzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2,3,4,5-Tetrafluorobenzoyl Chloride
    • 2,3,4,5-Tetrafluorboenzoyl Chloride
    • 2,3,3',4',5,6-HEXACB UNLABELED
    • 2,3,4,5-tetrafluorbenzoylchlorid
    • 2,3,4,5-tetrafluorobenzoic acid chloride
    • 2,3,4,5-tetrafluoro-benzoyl chloride
    • 2,3,4,5-Tetrafluorobezoylchloride
    • Benzoyl chloride,2,3,4,5-tetrafluoro
    • tetrafluorobenzoyl chloride
    • 2,3,4,5-tetrafluorobenzoylchloride
    • Benzoyl chloride, 2,3,4,5-tetrafluoro-
    • 2,3,4,5-tetrafluoro benzoyl chloride
    • C7HClF4O
    • 2,3,4,5-Tetrafluorobezoyl chloride
    • 2,3,4,5- Tetrafluorobenzoyl chloride
    • PubChem20568
    • PubChem15523
    • KSC486M4H
    • C
    • 2,3,4,5-Tetrafluorobenzoyl chloride (ACI)
    • J-506851
    • DTXCID10321011
    • AKOS005259621
    • HY-W250129
    • CS-0255991
    • DTXSID30369975
    • DB-019643
    • SCHEMBL345016
    • NS00002212
    • 94695-48-4
    • T1855
    • BCP29603
    • PS-10684
    • 2,3,4,5-tetra-fluoro-benzoic acid chloride
    • MFCD00075164
    • EC 619-058-9
    • M5RD6UU23U
    • 2,3,4,5-tetrafluorobenzoyl chlorde
    • 2,3,4,5-Tetrafluorobenzoyl chloride, 98%
    • 2,3,4,5-Tetrafluorobenzoyl chloride
    • MDL: MFCD00075164
    • Inchi: 1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
    • InChI Key: XWCKIXLTBNGIHV-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=C(F)C(F)=C(F)C=1)Cl
    • BRN: 5266860

Computed Properties

  • Exact Mass: 211.96500
  • Monoisotopic Mass: 211.965
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 213
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 1.58?g/mL?at 25?°C(lit.)
  • Boiling Point: 65-66°C 10mm
  • Flash Point: Degrees Fahrenheit:192.2°F
    Degrees Celsius:89°C
  • Refractive Index: n20/D 1.4787(lit.)
  • PSA: 17.07000
  • LogP: 2.62200
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

2,3,4,5-Tetrafluorobenzoyl chloride Security Information

2,3,4,5-Tetrafluorobenzoyl chloride Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,3,4,5-Tetrafluorobenzoyl chloride Pricemore >>

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2,3,4,5-Tetrafluorobenzoyl chloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: 4-Methyl-1-piperazinecarboxaldehyde ,  Divinylbenzene-vinylbenzyl chloride copolymer Solvents: Chlorobenzene ,  Dimethylacetamide ;  rt → 30 °C; 3 h, 30 °C
Reference
Preparation of 2,3,4,5-tetrafluorobenzoyl chloride
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: 1-Piperazinecarboxaldehyde (bonded on Merrifield resin) Solvents: 2-Methyltetrahydrofuran ;  rt → 65 °C; 8 h, 60 - 65 °C
Reference
Process for preparation of 2,3,4,5-tetrafluorobenzoyl chloride
, China, , ,

Production Method 3

Reaction Conditions
Reference
Preparation of pyridinylquinolones as antibacterials
, European Patent Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Thionyl chloride
Reference
Preparation and testing of 9-fluoro-6-oxo-10-pyridinylpyrido[1,2,3-de][1,4]benzoxazine-6-carboxylates and -benzothiazine-6-carboxylates as antimicrobials
, European Patent Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: 1,2-Dichloroethane ;  1 h, 353 K; 4 h, 353 K
Reference
Facile and selective synthesis of 2,3,4,5-tetrafluorobenzoyl chloride with triphosgene
Yang, Juhong; Han, Xiaoxiang; Zhou, Lingxiao; Xiong, Chunhua, Asian Journal of Chemistry, 2011, 23(4), 1615-1617

Production Method 6

Reaction Conditions
1.1 Reagents: Tributylamine ;  rt → 120 °C; 2 h, 120 °C; 120 °C → 60 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 14, 60 °C
1.3 Reagents: Sulfuric acid Solvents: Water ;  pH 1, cooled
1.4 Reagents: Thionyl chloride ;  rt; rt → 70 °C; 3 h, 70 °C; 70 °C → 85 °C; 5 h, 85 °C
Reference
A method for preparing 2,3,4,5-tetrafluorobenzoyl chloride
, China, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Water Catalysts: Iron chloride (FeCl3) ;  120 °C
Reference
Process for preparation of multiply halogenated benzotrichlorides and benzoyl chlorides, and new trihalobenzotrichlorides and -benzoyl chlorides, useful for preparation of quinolinecarboxylic acid antibacterials
, Germany, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride
Reference
3,28-Bis-O-polyfluorobenzoylbetulin. Synthesis, Molecular Structure, and Cytotoxicity
Trishin, Yu. G.; Fedorov, A. N.; Lyssenko, K. A.; Prokof'eva, D. S.; Rudenok, Yu. S.; et al, Russian Journal of Organic Chemistry, 2018, 54(10), 1480-1485

Production Method 9

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  16 h, 22 °C
Reference
Quantification of Small Molecule-Protein Interactions using FRET between Tryptophan and the Pacific Blue Fluorophore
Lee, Molly M.; Peterson, Blake R., ACS Omega, 2016, 1(6), 1266-1276

Production Method 10

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Benzene ;  1 h, rt; 4 - 6 h, reflux
Reference
Antimycobacterial and antimicrobial studies of newly synthesized 3-(4-(6-methylbenzo[d]thiazol-2-yl) phenyl)quinazolin-4(3H)-ones
Shaikh, Asif R.; Patel, Navin B.; Rajani, Dhanji, Indian Journal of Research in Pharmacy and Biotechnology, 2014, 2(1), 935-942

Production Method 11

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ;  rt → 70 °C
Reference
Preparation method of tetrafluorobenzyl alcohol
, China, , ,

Production Method 12

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Diethyl ether ;  0.5 h, 0 °C; overnight, rt
Reference
Preparation method of levofloxacin hydrochloride
, China, , ,

Production Method 13

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane ;  rt → 0 °C
1.2 Reagents: Thionyl chloride ;  0 °C; 0 °C → rt; overnight, rt
Reference
Process for preparation of 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
, China, , ,

Production Method 14

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ;  rt → 90 °C; 6 - 8 h
Reference
Synthetic process for the preparation of levofloxacin hemihydrate from levofloxacin
, World Intellectual Property Organization, , ,

Production Method 15

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ,  Toluene ;  55 - 60 °C
Reference
Quinolone dimers as potential antibacterial agents
Chepyala, Naveenkumar R.; Durgi, Rajashaker R.; Tatini, Lakshmi K.; Subbaraju, Gottumukkala V.; Hindupur, Rama M.; et al, Letters in Organic Chemistry, 2011, 8(9), 637-643

Production Method 16

Reaction Conditions
1.1 Reagents: Potassium fluoride Catalysts: Tetramethylammonium chloride Solvents: Toluene ;  rt → 100 °C; 0.4 MPa, 100 °C → 150 °C; 5 h, 120 - 150 °C; 150 °C → 50 °C
1.2 Reagents: Sodium carbonate ,  Water ;  rt → 80 °C; 5 h, 75 - 80 °C; 80 °C → 30 °C
1.3 Reagents: Thionyl chloride ;  45 °C; 2 h, 45 °C; 45 °C → 80 °C; 3 h, 75 - 80 °C
Reference
Efficient green synthesis method of 2,3,4,5-tetrafluorobenzoyl chloride for producing levofloxacin
, China, , ,

Production Method 17

Reaction Conditions
1.1 Reagents: Sodium tetrafluoroborate Solvents: Water ;  cooled
Reference
A novel synthesis of quinolone-ofloxacin
Jha, Kamlodvab; Thakur, B. G., Journal Chemtracks, 2010, 12(2), 455-462

Production Method 18

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ;  7 h, reflux
Reference
Preparation method of Marbofloxacin intermediate
, China, , ,

Production Method 19

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  2 h, rt
Reference
General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores
Levesque, Eric; Bechara, William S.; Constantineau-Forget, Lea; Pelletier, Guillaume; Rachel, Natalie M.; et al, Journal of Organic Chemistry, 2017, 82(10), 5046-5067

Production Method 20

Reaction Conditions
1.1 Reagents: Pyridine ,  Thionyl chloride Solvents: Toluene ;  rt → reflux; reflux; 4 h, reflux
Reference
Process for preparation of ethyl 3-(N-methyl-N-benzylamino)-2-(2,3,4,5-tetrafluorobenzoyl)acrylate
, China, , ,

2,3,4,5-Tetrafluorobenzoyl chloride Raw materials

2,3,4,5-Tetrafluorobenzoyl chloride Preparation Products

2,3,4,5-Tetrafluorobenzoyl chloride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:94695-48-4)2,3,4,5-四氟苯甲酰氯
Order Number:LE5872381;LE14404
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:45
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:94695-48-4)2,3,4,5-Tetrafluorobenzoyl chloride
Order Number:sfd2782
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:94695-48-4)2,3,4,5-四氟苯甲酰氯
LE5872381;LE14404
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:94695-48-4)2,3,4,5-Tetrafluorobenzoyl chloride
sfd2782
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email