3-Fluoro-o-xylene

Base Information

• Chemical Name: 3-Fluoro-o-xylene
• CAS No.: 443-82-3
• Molecular Formula: C8H9F
• Molecular Weight: 124.158
• Hs Code.: 29039990
• European Community (EC) Number: 207-140-3
• NSC Number: 76081
• DSSTox Substance ID: DTXSID60196110
• Nikkaji Number: J107.273K
• Wikidata: Q72470488
• Mol file: 443-82-3.mol

Synonyms:3-Fluoro-o-xylene;443-82-3;1-Fluoro-2,3-dimethylbenzene;2,3-Dimethylfluorobenzene;3-Fluoro-1,2-xylene;o-Xylene, 3-fluoro-;Benzene, 1-fluoro-2,3-dimethyl-;3-Fluoro-1,2-dimethylbenzene;1,2-dimethyl-3-fluorobenzene;MFCD00000323;1-fluoro-2,3-dimethyl-benzene;C8H9F;EINECS 207-140-3;NSC 76081;BRN 2040955;4-05-00-00925 (Beilstein Handbook Reference);Fluorxylol;NSC76081;SCHEMBL129712;WLN: FR B1 C1;1-Fluoro-2,3-dimethykbenzene;3-fluoro-1,2-dimethyl benzene;AWLDSXJCQWTJPC-UHFFFAOYSA-;DTXSID60196110;NSC-76081;AKOS005145733;AC-9715;AM61975;CS-W013523;GS-3499;SY008867;LS-162610;F0332;FT-0615739;EN300-120934

Chemical Property of 3-Fluoro-o-xylene

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 4.77mmHg at 25°C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 151 °C at 760 mmHg
• Flash Point: 36.1 °C
• PSA: 0.00000
• Density: 0.983 g/cm³
• LogP: 2.44250
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.068828449
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

99.0%Min ^*data from raw suppliers

3-Fluoro-O-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi
• Statements: 10-37
• Safety Statements: 16-24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)F)C
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Technology Process of 3-Fluoro-o-xylene

There total 12 articles about 3-Fluoro-o-xylene 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: 77.0%

α,α'-dibromo-3-fluoro-o-xylene (62590-16-3) → 3-fluoro-o-xylene (443-82-3) + 3-fluorobenzocyclobutene (51736-79-9)

Guidance literature:

With magnesium; at 600 ℃;

Reference yield: 76.0%

2,3-dimethylphenyl chloroformate (36018-19-6) → 3-fluoro-o-xylene (443-82-3)

Guidance literature:

With hydrogen fluoride; In various solvent(s); at 150 ℃; for 6h; under 19501.6 Torr;

DOI:10.1021/jo9716486

Reference yield: 63.4%

2,3-Dimethylaniline (87-59-2) → 3-fluoro-o-xylene (443-82-3)

Guidance literature:

With sodium nitrite; In Et₃N-3HF; diethyl ether;

upstream raw materials:

2,3-Dimethylaniline

o-xylene

α,α'-dibromo-3-fluoro-o-xylene

2,3-dimethylphenyl chloroformate

Downstream raw materials:

o-xylene

α,α'-dibromo-3-fluoro-o-xylene

1-bromo-4-fluoro-2,3-dimethylbenzene

3-fluorobenzene-1,2-dicarbaldehyde

Refernces

• 1、 Aitken, R. Alan,Hodgson, Philip K.G.,Morrison, John J.,Oyewale, Adebayo O.. "Flash vacuum pyrolysis over magnesium. Part 1 - Pyrolysis of benzylic, other aryl/alkyl and aliphatic halides". . p. 402 - 415. Retrieved 2007/10/03.
• 2、 -. "Preparation process of fluorine substituted aromatic compound". . . Retrieved 2008/06/13.