2-Chloro-5-methylaniline

Base Information

• Chemical Name: 2-Chloro-5-methylaniline
• CAS No.: 95-81-8
• Molecular Formula: C7H8ClN
• Molecular Weight: 141.6
• Hs Code.: 29214300
• European Community (EC) Number: 202-454-7
• UNII: 33NGJ21B5B
• DSSTox Substance ID: DTXSID0074554
• Nikkaji Number: J153.388F
• Wikidata: Q72453592
• Mol file: 95-81-8.mol

Synonyms:2-Chloro-5-methylaniline;95-81-8;6-Chloro-m-toluidine;Benzenamine, 2-chloro-5-methyl-;3-AMINO-4-CHLOROTOLUENE;MFCD00007674;2-chloro-5-methylbenzenamine;CCRIS 2888;2-chloro-5-methyl aniline;33NGJ21B5B;EINECS 202-454-7;2-chloro-5-methylphenylamine;6-chlor-m-toluidin;6-Chlor-meta-toluidin;4-chloro-3-amino-toluene;UNII-33NGJ21B5B;SCHEMBL753599;2-chloro-5-methyl-phenylamine;(2-chloro-5-methylphenyl)amine;DTXSID0074554;2-Chloro-5-methylaniline, 99%;AKOS005177454;CCG-302525;CS-W002031;PS-4451;SB75395;2-chloro-5-methyl-aniline hydrochloride;AC-26391;SY018334;AM20060248;C2576;FT-0631490;EN300-105524;Z1037551050

Chemical Property of 2-Chloro-5-methylaniline

Chemical Property:

• Vapor Pressure: 0.0712mmHg at 25°C
• Melting Point: 31-33°C
• Refractive Index: 1.585
• Boiling Point: 228.999 °C at 760 mmHg
• PKA: 2.78±0.10(Predicted)
• Flash Point: 107.222 °C
• PSA: 26.02000
• Density: 1.181 g/cm³
• LogP: 2.81180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.5
• 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:

97% ^*data from raw suppliers

2-Chloro-5-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-36/37-28-26
• Safety Statements: 26-28-45-36/38-33-20/21/22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Cl)N
• Uses: 2-Chloro-5-methylaniline is used in the synthesis and preparation of acylthiourea derivative for potential used of anti-viral agents against vaccinia and La Crosse viruses.

Technology Process of 2-Chloro-5-methylaniline

There total 8 articles about 2-Chloro-5-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: 90.0%

1-chloro-4-methyl-2-nitro-benzene (89-60-1) → 2-chloro-5-methylaniline (95-81-8)

Guidance literature:

With hydrazine hydrate; In ethanol; at 75 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.catcom.2022.106398

Reference yield: 19.0%

2-azido-N-(2-chloro-5-methylphenyl)-N-methyl-2-phenylacetamide (1228378-19-5) → 6-chloro-1,9-dimethyl-3-phenyl-1,4-diazaspiro[4.5]deca-3,6,9-triene-2,8-dione (1228378-53-7) + 2-chloro-5-methylaniline (95-81-8) + N?methyl?2?oxo?2?phenylacetamide (83490-71-5)

Guidance literature:

With phosphate potassium salt; oxygen; copper diacetate; In N,N-dimethyl-formamide; at 80 ℃; for 4.5h; under 760.051 Torr;

DOI:10.1021/ja1027327

Reference yield:

sodium n-propoxide (6819-41-6) + 1-chloro-4-methyl-2-nitro-benzene (89-60-1) → 2-chloro-5-methylaniline (95-81-8) + N-(2-chloro-5-methyl-phenyl)-alanine

Guidance literature:

With propan-1-ol; benzene;

DOI:10.1021/ja01357a050

upstream raw materials:

N-(3-methylphenyl)hydroxylamine

sodium n-propoxide

1-chloro-4-methyl-2-nitro-benzene

benzene

Downstream raw materials:

4-chloro-3,5-dimethyl-quinoline

4-Chloro-6-(2-chloro-5-methylanilino)pyrimidine

3,6-dimethyl-1H-indole

C₁₀H₁₂ClN