2-Fluorobenzoyl chloride

Base Information

• Chemical Name: 2-Fluorobenzoyl chloride
• CAS No.: 393-52-2
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• Hs Code.: 29163900
• European Community (EC) Number: 206-887-2
• NSC Number: 88304
• UN Number: 1760
• UNII: Z4H017N76S
• DSSTox Substance ID: DTXSID3025330
• Nikkaji Number: J44B
• Wikidata: Q27294989
• ChEMBL ID: CHEMBL1606202
• Mol file: 393-52-2.mol

Synonyms:2-FLUOROBENZOYL CHLORIDE;393-52-2;o-Fluorobenzoyl chloride;Benzoyl chloride, 2-fluoro-;2-fluorobenzoylchloride;Benzoyl chloride, o-fluoro-;Benzoyl chloride, fluoro-;CCRIS 5914;HSDB 4261;EINECS 206-887-2;NSC 88304;2-Fluoro-benzoyl chloride;BRN 0636864;2-fluorobenzoic acid chloride;UNII-Z4H017N76S;DTXSID3025330;Z4H017N76S;MFCD00000656;NSC-88304;EC 206-887-2;4-09-00-00951 (Beilstein Handbook Reference);fluorobenzoyl chloride;2-fluorbenzoyl chloride;2-flurobenzoyl chloride;2-fluoro-benzoylchloride;o-fluoro-benzoyl chloride;2-fluoro benzoyl chloride;WLN: GVR BF;2-fluoranylbenzoyl chloride;ortho-Fluorobenzoyl chloride;SCHEMBL60101;2-fluoro benzoic acid chloride;DTXCID005330;2-Fluorobenzoyl chloride, 99%;CHEMBL1606202;alpha-chloro-2-fluorobenzaldehyde;RAAGZOYMEQDCTD-UHFFFAOYSA-;2-fluoro-1-benzenecarbonyl chloride;NSC88304;Tox21_200637;LS-107;STL183341;AKOS000121330;2-FLUOROBENZENECARBONYL CHLORIDE;PB42721;2-FLUOROBENZOYL CHLORIDE [HSDB];NCGC00091418-01;NCGC00091418-02;NCGC00258191-01;CAS-393-52-2;PS-10795;F0195;FT-0612419;EN300-19512;D70825;A824524;W-106441;Q27294989;F2190-0058

Chemical Property of 2-Fluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 8.22E-06mmHg at 25°C
• Melting Point: 4 °C
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 203.7 °C at 760 mmHg
• Flash Point: 63.2 °C
• PSA: 17.07000
• Density: 1.32 g/cm³
• LogP: 2.20470
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Sensitive.: Lachrymatory
• Solubility.: Chloroform (Slightly)
• Water Solubility.: Decomposition
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.9934706
• Heavy Atom Count: 10
• Complexity: 138
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37-36/37-14
• Safety Statements: 26-36/37/39-45-28A-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)Cl)F
• Uses: 2-Fluorobenzoyl Chloride (cas# 393-52-2) is a compound useful in organic synthesis. 2-Fluorobenzoyl chloride has been used in the preparation of 3-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester. It has been used to develop an hollow-fiber liquid phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.

Technology Process of 2-Fluorobenzoyl chloride

There total 15 articles about 2-Fluorobenzoyl 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%

o-fluoro-benzoic acid (445-29-4) → 2-Fluorobenzoyl chloride (393-52-2)

Guidance literature:

With thionyl chloride; at 80 ℃; for 5h;

Reference yield: 98.0%

1-(tert-butyl)-2-fluorobenzene (320-11-6) → 2-Fluorobenzoyl chloride (393-52-2)

Guidance literature:

With water; zinc(II) chloride; at 125 - 130 ℃; for 1h;

Reference yield:

C18H20FN3 → 2-Fluorobenzoyl chloride (393-52-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.3390/molecules24030497

upstream raw materials:

o-fluoro-benzoic acid

phosphorus pentachloride

phenol

2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline

Downstream raw materials:

2-fluoro-benzoic acid-(2-piperidino-ethyl ester)

2-Fluor-benzoesaeure-o-anisylamid

2-fluoro-N-(4-nitrophenyl)benzamide

N-(2-fluoro-benzoyl)-sulfanilic acid amide

Refernces

• 1、 Blanco-Aparicio, Carmen,Albarrán, M. Isabel,Amezquita-Alves, Adrián,Cebriá, Antonio,García, Ana Belén,García-Campos, Francisco Javier,Martínez-Gago, Jaime,Martínez-González, Sonia,Martínez-Torrecuadrada, Jorge,Mu?oz, Inés,Pastor, Joaquín. "Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors". supporting information. . Retrieved 2020/07/03.
• 2、 Kaur, Jatinder,Soto-Velasquez, Monica,Ding, Zhong,Ghanbarpour, Ahmadreza,Lill, Markus A.,van Rijn, Richard M.,Watts, Val J.,Flaherty, Daniel P.. "Optimization of a 1,3,4-oxadiazole series for inhibition of Ca2+/calmodulin-stimulated activity of adenylyl cyclases 1 and 8 for the treatment of chronic pain". . p. 568 - 585. Retrieved 2018/11/26.