2-Chloro-6-fluorotoluene

Base Information

• Chemical Name: 2-Chloro-6-fluorotoluene
• CAS No.: 443-83-4
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.576
• Hs Code.: 29039990
• European Community (EC) Number: 207-141-9
• DSSTox Substance ID: DTXSID1059997
• Nikkaji Number: J149.703K
• Wikipedia: 2-Chloro-6-fluorotoluene
• Wikidata: Q72451573
• Mol file: 443-83-4.mol

Synonyms:2-Chloro-6-fluorotoluene;443-83-4;1-Chloro-3-fluoro-2-methylbenzene;Benzene, 1-chloro-3-fluoro-2-methyl-;2-FLUORO-6-CHLOROTOLUENE;6-chloro-2-fluorotoluene;EINECS 207-141-9;EC 207-141-9;1-chloro-3-fluoro-2-methyl-benzene;MFCD00000570;2Cloro 6Fluorotoluene;2-chloro-6-fluoro toluene;2-fluoro-6-chloro toluene;SCHEMBL108893;DTXSID1059997;FNPVYRJTBXHIPB-UHFFFAOYSA-;2-Chloro-6-fluorotoluene, 97%;AKOS005063620;AC-7437;AM61976;CS-W011001;A6745;C1181;FT-0611867;EN300-85918;W-106199

Chemical Property of 2-Chloro-6-fluorotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 24.1mmHg at 25°C
• Refractive Index: n20/D 1.504(lit.)
• Boiling Point: 154.5 °C at 760 mmHg
• Flash Point: 47.7 °C
• PSA: 0.00000
• Density: 1.186 g/cm³
• LogP: 2.78750
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.0142060
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-fluorotoluene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F, Xi
• Hazard Codes: Xn,F,Xi
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 36/37-37/39-26-16-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)F

Technology Process of 2-Chloro-6-fluorotoluene

There total 9 articles about 2-Chloro-6-fluorotoluene 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: 82.0%

2-chloro-6-fluorobenzaldehyde (387-45-1) → 2-chloro-6-fluorotoluene (443-83-4) + 4-chloro-1H-indazole (13096-96-3)

Guidance literature:

With hydrazine hydrate; In 1,2-dimethoxyethane; for 15h; Heating;

DOI:10.1021/jo0613784

Reference yield: 58.0%

2-chloro-6-fluoro-α,α-dichlorotoluene (62476-62-4) → 2-chloro-6-fluorotoluene (443-83-4) + C14H8Cl2F2

Guidance literature:

With magnesium; at 600 ℃;

Reference yield:

3-chloro-2-methylbenzenamine (87-60-5) → 2-chloro-6-fluorotoluene (443-83-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaNO₂, aq. HCl, HPF₆

With hydrogenchloride; hexafluorophosphoric acid; sodium nitrite;

DOI:10.1021/jo01067a042

upstream raw materials:

2-Fluorotoluene

6-chloro-toluene-2-diazonium ; tetrafluoroborate

2-chloro-6-fluoro-α,α-dichlorotoluene

2-chloro-6-fluorobenzaldehyde

Downstream raw materials:

Methyl-6-chlor-2-fluor-3-sulfamoylbenzoat

1-<2-Methyl-3-fluor-benzoyl>-naphthalin

2-chloro-4-fluoro-3-methylbenzoic acid

2-chloro-4-fluoro-3-methyl-5-nitrobenzoic acid

Refernces

• 1、 Lukin, Kirill,Hsu, Margaret C.,Fernando, Dilinie,Leanna, M. Robert. "New practical synthesis of indazoles via condensation of o-fluorobenzaldehydes and their O-methyloximes with hydrazine". . p. 8166 - 8172. Retrieved 2007/10/03.