5-Chloro-m-xylene

Base Information

• Chemical Name: 5-Chloro-m-xylene
• CAS No.: 556-97-8
• Molecular Formula: C8H9 Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• European Community (EC) Number: 673-991-6
• UNII: 4Z6HOG6ICU
• DSSTox Substance ID: DTXSID60204143
• Nikkaji Number: J107.268D
• Wikidata: Q72460642
• Mol file: 556-97-8.mol

Synonyms:5-Chloro-m-xylene;556-97-8;1-chloro-3,5-dimethylbenzene;3,5-Dimethylchlorobenzene;5-Chloro-1,3-xylene;Benzene, 1-chloro-3,5-dimethyl-;1-Chloro-3,5-xylene;1-chloro-3,5-dimethyl-benzene;m-Xylene, 5-chloro-;3,5-Dimethylphenyl chloride;BRN 2039352;4Z6HOG6ICU;MFCD00060273;Benzene, 1-chloro-3,5-dimethyl- (9CI);3-05-00-00834 (Beilstein Handbook Reference);UNII-4Z6HOG6ICU;SCHEMBL147796;DTXSID60204143;BBL103062;STL556871;AKOS005145659;AM82874;PS-11935;SY016886;LS-162591;CS-0153261;FT-0607615;A830760

Chemical Property of 5-Chloro-m-xylene

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.841mmHg at 25°C
• Melting Point: -41.95°C (estimate)
• Refractive Index: 1.5275 (estimate)
• Boiling Point: 188.1 ºC at 760 mmHg
• Flash Point: 63.1 ºC
• PSA: 0.00000
• Density: 1,04 g/cm3
• LogP: 2.95680
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-m-xylene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)Cl)C

Technology Process of 5-Chloro-m-xylene

There total 9 articles about 5-Chloro-m-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: 54.0%

<(3,5-Dimethylphenyl)azo>pyrrolidine → 1-chloro-3,5-dimethylbenzene (556-97-8)

Guidance literature:

With hydrogenchloride; copper(l) chloride;

DOI:10.1021/jo00060a028

Reference yield:

o-xylene (95-47-6) → 2,4-dimethylchlorobenzene (95-66-9) + 1-chloro-3,5-dimethylbenzene (556-97-8) + 2-chloro-1,4-dimethyl-benzene (95-72-7) + 2,6-dimethyl-1-chlorobenzene (6781-98-2) + 4-chloro-1,2-dimethylbenzene (615-60-1) + 3-chloro-o-xylene (608-23-1) + 1,2-dichloro-4,5-dimethyl-benzene (20824-80-0) + 1,2-dichloro-3,4-dimethyl-benzene (68266-67-1) + 2-methyl-5-chlorobenzyl chloride (34060-72-5) + 1,4-dichloro-2,3-dimethyl-benzene (52331-02-9) + 3,5-dichloro-o-xylene (70172-92-8) + 1-chloromethyl-2-methylbenzene (552-45-4) + alpha,2-dichloro-6-methyltoluene (55676-90-9)

Guidance literature:

With chlorine; the fluorine-containing K-L-type zeolite; In 1,2-dichloro-ethane; at 80 ℃; for 1.75 - 3.66667h; Product distribution / selectivity;

Reference yield:

3,5-dimethylaminoaniline (108-69-0) + sodium sulfate (7757-82-6) → 1-chloro-3,5-dimethylbenzene (556-97-8)

Guidance literature:

With methanesulfonic acid; sodium chloride; ammonia; sodium nitrite; copper(I) chloride; In hydrogenchloride; water; acetic acid;

upstream raw materials:

3,5-dimethylaminoaniline

o-xylene

copper(I) chloride

sodium sulfate

Downstream raw materials:

1-(bromomethyl)-3-chloro-5-methylbenzene

3-Chloro-5-Methylbenzoic Acid

N-(3-chloro-5-methylbenzyl)-N,4-dimethylbenzenesulfonamide

N,N-diethyl-3,5-dimethylbenzamide

Refernces

• 1、 -. "PROCESS FOR HALOGENATION OF BENZENE AND BENZENE DERIVATIVES". Page/Page column 23-24. . Retrieved 2008/06/13.
• 2、 Gross, Margaret L.,Blank, David H.,Welch, Willard M.. "The Triazene Moiety as a Protecting Group for Aromatic Amines". . p. 2104 - 2109. Retrieved 2007/10/02.