3,4-Dichlorotoluene

Base Information

• Chemical Name: 3,4-Dichlorotoluene
• CAS No.: 95-75-0
• Molecular Formula: C7H6Cl2
• Molecular Weight: 161.031
• Hs Code.: 29036990
• European Community (EC) Number: 202-447-9
• NSC Number: 8765
• DSSTox Substance ID: DTXSID2021814
• Nikkaji Number: J3.570J
• Wikidata: Q72468405
• ChEMBL ID: CHEMBL47525
• Mol file: 95-75-0.mol

Synonyms:3,4-DICHLOROTOLUENE;95-75-0;1,2-Dichloro-4-methylbenzene;Benzene, 1,2-dichloro-4-methyl-;Toluene, 3,4-dichloro-;NSC 8765;EINECS 202-447-9;AI3-02581;EC 202-447-9;NSC8765;3,4-dichlortoluen;3,4-dichloro-toluene;3,4-Dichlorotoluene, 97%;CHEMBL47525;SCHEMBL156450;Benzene,2-dichloro-4-methyl-;DTXSID2021814;AMY3590;1,2-Dichloro-4-methylbenzene #;Benceno, 1,2-dicloro-4-metil-;NSC-8765;MFCD00000556;AKOS009031174;3,4-Dichlorotoluene, analytical standard;BS-42252;LS-184862;D0426;FT-0614264;EN300-21591;3,4-Dichlorotoluene 100 microg/mL in Methanol;2-hydroxy-5-(p-tolylsulfonyloxy)benzenesulfonic acid;piperazine

Chemical Property of 3,4-Dichlorotoluene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.301mmHg at 25°C
• Melting Point: -15.2 °C
• Refractive Index: n20/D 1.547(lit.)
• Boiling Point: 208.919 °C at 760 mmHg
• Flash Point: 80.172 °C
• PSA: 0.00000
• Density: 1.242 g/cm³
• LogP: 3.30180
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Methanol
• Water Solubility.: insoluble
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.9846556
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

≥99% ^*data from raw suppliers

3,4-Dichlorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Cl)Cl
• Uses: 3,4-Dichlorotoluene was used in determination of enthalpy of formation for molecular complexes of I2 with chloromethylbenzene molecules in CCl4.

Technology Process of 3,4-Dichlorotoluene

There total 19 articles about 3,4-Dichlorotoluene 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: 96.0%

→ 2-chloro-1-(4,5-dichloro-2-methylphenyl)ethanone + 3,4-Dichlorotoluene (95-75-0)

Guidance literature:

Reference yield: 89.0%

3,4-dichlorobenzaldehyde (6287-38-3) → 3,4-Dichlorotoluene (95-75-0)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; for 6h; Heating;

DOI:10.1016/S0040-4020(02)00256-9

Reference yield: 20.0%

→ 3,4-Dichlorotoluene (95-75-0)

Guidance literature:

upstream raw materials:

1-chloro-3-methylbenzene

para-chlorotoluene

2-chloro-p-cresol

4-methyl-1,2-diaminobenzene

Downstream raw materials:

3,4-dichlorobenzyl dibromide

3,4-dichlorobenzyl bromide

3,4,3',4'-tetrachloro-bibenzyl

(2,2-dimethyl-1-propyl)benzene

Refernces

• 1、 -. "Method for producing 2,4-dichlorotoluene by using parachlorotoluene". Paragraph 0017-0019. . Retrieved 2017/01/12.
• 2、 Matsubara, Hiroshi,Yasuda, Shinji,Sugiyama, Hiroyuki,Ryu, Ilhyong,Fujii, Yasuyuki,Kita, Katsumi. "A new fluorous/organic amphiphilic ether solvent, F-626: Execution of fluorous and high temperature classical reactions with convenient biphase workup to separate product from high boiling solvent". . p. 4071 - 4076. Retrieved 2007/10/03.