4-Chloro-o-xylene

Base Information

• Chemical Name: 4-Chloro-o-xylene
• CAS No.: 615-60-1
• Molecular Formula: C8H9 Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• European Community (EC) Number: 210-438-6
• UNII: QO24WAW04Q
• DSSTox Substance ID: DTXSID50210470
• Nikkaji Number: J31.763B
• Wikidata: Q27287384
• Mol file: 615-60-1.mol

Synonyms:4-Chloro-o-xylene;615-60-1;4-Chloro-1,2-dimethylbenzene;3,4-Dimethylchlorobenzene;Benzene, 4-chloro-1,2-dimethyl-;4-CHLORO-1,2-XYLENE;o-Xylene, 4-chloro-;4-Chloro-ortho-xylene;EINECS 210-438-6;UNII-QO24WAW04Q;QO24WAW04Q;1-Chloro-3,4-dimethylbenzene;EC 210-438-6;MFCD00000596;4-chloro ortho-xylene;3,4-dimethyl-chlorobenzene;SCHEMBL91997;HNQLMBJUMVLFCF-UHFFFAOYSA-;DTXSID50210470;AKOS015848977;AS-59460;CS-0204818;FT-0618237;EN300-106038;N11900;A833302;4-Chloro-1,2-dimethylbenzene, technical grade, 90%;Q27287384

Chemical Property of 4-Chloro-o-xylene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.685mmHg at 25°C
• Melting Point: -6°C
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 192.3 °C at 760 mmHg
• Flash Point: 67 ºC
• PSA: 0.00000
• Density: 1.047
• LogP: 2.95680
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 27mg/L at 26℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

99.9% ^*data from raw suppliers

4-Chloro-1,2-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21
• Safety Statements: 26-36-36/37-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CC1=C(C=C(C=C1)Cl)C
• Uses: 4-Chloro-1,2-dimethylbenzene can be used to inhibit TDG activity.

Technology Process of 4-Chloro-o-xylene

There total 18 articles about 4-Chloro-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: 80.0%

o-xylene (95-47-6) → 4-chloro-1,2-dimethylbenzene (615-60-1)

Guidance literature:

With calcium hypochlorite; In water; acetic acid; acetone; at 0 ℃; for 1h;

Reference yield: 61.2%

o-xylene (95-47-6) → 4-chloro-1,2-dimethylbenzene (615-60-1) + 3-chloro-o-xylene (608-23-1)

Guidance literature:

With chlorine; iron(III) chloride; 1,3,7,9-tetrachloro-2,8-dimethylphenoxathiin; at -5 - 20 ℃; for 2.5 - 5h; Product distribution / selectivity;

Reference yield:

o-xylene (95-47-6) → dichlorinated o-xylenes; mixture of + 4-chloro-1,2-dimethylbenzene (615-60-1) + 3-chloro-o-xylene (608-23-1)

Guidance literature:

With chlorine; tetrachlorinated 2,8-dimethylphenoxathiine; at 20 ℃; for 5h;

upstream raw materials:

o-xylene

3,4-dimethylbenzenesulfonic acid

4-amino-o-xylene

4-t-butyl-o-xylene

Downstream raw materials:

(3,4-dimethylphenyl)-trimethylsilane

1,2-dichloro-4,5-dimethyl-benzene

5-chloro-2-methyl-benzyl bromide

1,2-bis(bromomethyl)-4-chlorobenzene

Refernces

• 1、 Schmidt, Robert,Stolle, Achim,Ondruschka, Bernd. "Aromatic substitution in ball mills: Formation of aryl chlorides and bromides using potassium peroxomonosulfate and NaX". . p. 1673 - 1679. Retrieved 2013/02/22.
• 2、 Thirumamagal,Narayanasamy, Sureshbabu,Venkatesan. "Regiospecific chlorination of xylenes using K-10 montmorrillonite clay". body text. p. 2820 - 2825. Retrieved 2009/05/07.