2-Chloro-6-fluorobenzaldehyde

Base Information

• Chemical Name: 2-Chloro-6-fluorobenzaldehyde
• CAS No.: 387-45-1
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• Hs Code.: 29130000
• European Community (EC) Number: 206-860-5
• UNII: 51YJ9BW8W7
• DSSTox Substance ID: DTXSID4022028
• Nikkaji Number: J213.615E
• Wikipedia: 2-Chloro-6-fluorobenzaldehyde
• Wikidata: Q27260932
• Mol file: 387-45-1.mol

Synonyms:2-Chloro-6-fluorobenzaldehyde;387-45-1;Benzaldehyde, 2-chloro-6-fluoro-;MFCD00003306;2,6-cfad;EINECS 206-860-5;UNII-51YJ9BW8W7;2-fluoro-6-chlorobenzaldehyde;51YJ9BW8W7;6-CHLORO-2-FLUOROBENZALDEHYDE;2-chloro-6-fluoro-benzaldehyde;2chloro-6-fluorobenzaldehyde;SCHEMBL154430;2-fluoro-6-chloro-benzaldehyde;DTXSID4022028;STK801562;2-Chloro-6-fluorobenzaldehyde, 95%;AKOS000118947;AC-2667;CS-W016193;PS-8805;1,1-BIS(4-HYDROXYPHENYL)PENTANE;BP-10748;SY002480;LS-184874;AM20060036;C1424;FT-0611851;EN300-19135;A824265;W-106469;Q27260932;F2190-0601;Z104472904

Chemical Property of 2-Chloro-6-fluorobenzaldehyde

Chemical Property:

• Appearance/Colour: white to yellow solid
• Vapor Pressure: 0.272mmHg at 25°C
• Melting Point: 32-35 °C(lit.)
• Refractive Index: 1.559
• Boiling Point: 203.8 °C at 760 mmHg
• Flash Point: 77.1 °C
• PSA: 17.07000
• Density: 1.352 g/cm³
• LogP: 2.29160
• Storage Temp.: Refrigerator
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Insoluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.9934706
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-fluorobenzaldehyde

There total 14 articles about 2-Chloro-6-fluorobenzaldehyde 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: 98.0%

(2-chloro-6-fluorophenyl)methanol (56456-50-9) → 2-chloro-6-fluorobenzaldehyde (387-45-1)

Guidance literature:

With 4-methyl-morpholine; chromium(VI) oxide; hydrogenchloride; In diethyl ether; chloroform; at 65 ℃; for 0.1h; microwave irradiation;

DOI:10.1080/00397910802219502

Reference yield: 93.0%

2-chloro-6-fluorobenzylidene diacetate → 2-chloro-6-fluorobenzaldehyde (387-45-1)

Guidance literature:

With H₆P₂W₁₈O₆₂; In toluene; at 100 ℃; for 0.0833333h;

DOI:10.1081/SCC-200034783

Reference yield: 92.0%

2-Fluorobenzaldehyde (446-52-6) → 2-chloro-6-fluorobenzaldehyde (387-45-1)

Guidance literature:

With N-chloro-succinimide; 2-hydroxyl-5-nitro-3-(trifluoromethyl)pyridine; 4-trifluoromethylphenylamine; palladium diacetate; trifluoroacetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.9b01158

upstream raw materials:

2-chloro-6-fluorotoluene

2,6-dichlorobenzaldehyde

bromine

carbon disulfide

Downstream raw materials:

6-fluoro-2-chloro-trans-cinnamic acid

methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

2-(2-fluoro-6-clorofenil)-3-(2-tiazolil)-4-tiazolidinone

2-(2-fluoro-6-clorofenil)-3-(2-tiazolil)-4-tiazolidinone

Refernces

• 1、 Li, Feng,Zhou, Yirong,Yang, Heng,Wang, Ziqi,Yu, Qinqin,Zhang, Fang-Lin. "Monodentate Transient Directing Group Enabled Pd-Catalyzed Ortho-C-H Methoxylation and Chlorination of Benzaldehydes". supporting information. p. 3692 - 3695. Retrieved 2019/05/24.
• 2、 Steves, Janelle E.,Stahl, Shannon S.. "Stable TEMPO and ABNO Catalyst Solutions for User-Friendly (bpy)Cu/Nitroxyl-Catalyzed Aerobic Alcohol Oxidation". . p. 11184 - 11188. Retrieved 2015/11/18.