2-Chloro-6-fluoro-3-methylbenzaldehyde

Base Information

• Chemical Name: 2-Chloro-6-fluoro-3-methylbenzaldehyde
• CAS No.: 104451-99-2
• Molecular Formula: C₈H₆ClFO
• Molecular Weight: 172.586
• Hs Code.: 29130000
• European Community (EC) Number: 621-040-0
• DSSTox Substance ID: DTXSID20352997
• Nikkaji Number: J2.725.060B
• Wikidata: Q82130440
• Mol file: 104451-99-2.mol

Synonyms:2-Chloro-6-fluoro-3-methylbenzaldehyde;104451-99-2;MFCD01631360;2-Chloro-6-Fluoro-3-Methyl-Benzaldehyde;Benzaldehyde,2-chloro-6-fluoro-3-methyl-;SCHEMBL828218;DTXSID20352997;CSYKEPRGLYWJCW-UHFFFAOYSA-N;AKOS005258334;2-fluoro-5-methyl-6-chlorobenzaldehyde;AS-35842;CS-0196361;FT-0611845;EN300-383284;A800981;Z1203161802

Chemical Property of 2-Chloro-6-fluoro-3-methylbenzaldehyde

Chemical Property:

• Appearance/Colour: Off-white crystalline solid
• Vapor Pressure: 0.0882mmHg at 25°C
• Melting Point: 30-33 °C(lit.)
• Refractive Index: 1.552
• Boiling Point: 225.1 °C at 760 mmHg
• Flash Point: 89.9 °C
• PSA: 17.07000
• Density: 1.292 g/cm³
• LogP: 2.60000
• Sensitive.: Air Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-6-fluoro-3-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)F)C=O)Cl

Technology Process of 2-Chloro-6-fluoro-3-methylbenzaldehyde

There total 1 articles about 2-Chloro-6-fluoro-3-methylbenzaldehyde 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:

2-chloro-4-fluorotoluene (452-73-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-6-fluoro-3-methylbenzaldehyde (104451-99-2)

Guidance literature:

2-chloro-4-fluorotoluene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 0.25h;

Reference yield: 74.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 2-chloro-6-fluoro-3-methylbenzaldehyde (104451-99-2) → 2-chloro-4-fluoro-1-methyl-3-vinylbenzene

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In diethyl ether; Inert atmosphere; Schlenk technique;

2-chloro-6-fluoro-3-methylbenzaldehyde; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.0c04306

upstream raw materials:

2-chloro-4-fluorotoluene

N,N-dimethyl-formamide

Refernces

• 1、 -. "(AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS". Page/Page column 118. . Retrieved 2015/05/26.