2-Chloro-3-methylaniline

Base Information

• Chemical Name: 2-Chloro-3-methylaniline
• CAS No.: 29027-17-6
• Molecular Formula: C7H8 Cl N
• Molecular Weight: 141.6
• Hs Code.: 2921430090
• European Community (EC) Number: 832-831-7
• DSSTox Substance ID: DTXSID70951631
• Nikkaji Number: J153.387H
• Wikidata: Q82929998
• Mol file: 29027-17-6.mol

Synonyms:2-Chloro-3-methylaniline;29027-17-6;Benzenamine, 2-chloro-3-methyl-;2-Chloro-m-toluidine.;MFCD11113332;2-chloro-3-methyl-aniline;Amino-chlortoluol;AI3-26861;2-Chloro-3-aminotoluene;2-chloro-3-methyl aniline;SCHEMBL8848;(2-Chloro-3-methylphenyl)amine;DTXSID70951631;RQRKMXABSUYQBV-UHFFFAOYSA-N;CL9338;AKOS006309846;BS-13156;SY107931;CS-0131372;FT-0710782;EN300-96272;Z1198316539

Chemical Property of 2-Chloro-3-methylaniline

Chemical Property:

• Melting Point: 6.6 °C
• Boiling Point: 219.8±20.0 °C(Predicted)
• PKA: 2.78±0.10(Predicted)
• PSA: 26.02000
• Density: 1.180±0.06 g/cm3(Predicted)
• LogP: 2.81180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.0345270
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-3-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-methylaniline

There total 10 articles about 2-Chloro-3-methylaniline 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: 93.0%

tert-butyl 2-chloro-3-methylphenylcarbamate → 2-chloro-3-methylaniline (29027-17-6)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 1h;

Reference yield: 84.0%

2-chloro-3-nitrotoluene (3970-40-9) → 2-chloro-3-methylaniline (29027-17-6)

Guidance literature:

With iron; ammonium chloride; In ethanol; at 80 ℃; for 5h;

Reference yield:

N-(3-methylphenyl)hydroxylamine (620-25-7) → 2-chloro-5-methylaniline (95-81-8) + 2-chloro-3-methylaniline (29027-17-6) + 3-methyl-4-chloroaniline (7149-75-9) + 3,3'-dimethylazoxybenzene (19618-06-5,71297-97-7,116723-90-1)

Guidance literature:

upstream raw materials:

N-(3-methylphenyl)hydroxylamine

2-chloro-3-nitrotoluene

carbon disulfide

sulfuryl dichloride

Downstream raw materials:

2-chloro-1-isothiocyanato-3-methylbenzene

2,3-dichlorotoluene

N-(2-chloro-3-methylphenyl)acetamide

benzoic acid-(2-chloro-3-methyl-anilide)

Refernces

• 1、 Yue, Shengnan,Wang, Xueguang,Li, Shaoting,Sheng, Yao,Zou, Xiujing,Lu, Xionggang,Zhang, Chunlei. "Highly selective hydrogenation of halogenated nitroarenes over Ru/CN nanocomposites by: In situ pyrolysis". . p. 11861 - 11869. Retrieved 2020/07/28.
• 2、 -. "PTPN11 INHIBITORS". . . Retrieved 2020/02/27.