4-Chloro-N-isopropylaniline

Base Information

• Chemical Name: 4-Chloro-N-isopropylaniline
• CAS No.: 770-40-1
• Molecular Formula: C9H12ClN
• Molecular Weight: 169.654
• Hs Code.: 2921420090
• European Community (EC) Number: 212-224-8
• DSSTox Substance ID: DTXSID00227816
• Nikkaji Number: J193.152K
• Wikidata: Q72452826
• Mol file: 770-40-1.mol

Synonyms:4-Chloro-N-isopropylaniline;770-40-1;4-chloro-N-propan-2-ylaniline;N-Isopropyl-4-chloroaniline;(4-Chlorophenyl)-isopropylamine;EINECS 212-224-8;4-chloro-n-(propan-2-yl)aniline;MFCD08456849;Benzenamine, 4-chloro-N-(1-methylethyl)-;N-isopropyl-p-chloroaniline;SCHEMBL632912;(4-Chlorophenyl)isopropylamine;DTXSID00227816;(4-chloro-phenyl)-isopropyl-amine;AKOS000235518;BS-17532;SY262875;CS-0154186;FT-0618231;EN300-145251;Y13462;A838948

Chemical Property of 4-Chloro-N-isopropylaniline

Chemical Property:

• Vapor Pressure: 0.0093mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 265.2 °C at 760mmHg
• Flash Point: 114.2 °C
• PSA: 12.03000
• Density: 1.099 g/cm³
• LogP: 3.23330
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-N-isopropylaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=CC=C(C=C1)Cl
• Use Description: 4-Chloro-N-isopropylaniline, a chemical compound, finds applications in several fields. In the chemical industry, it serves as an important intermediate compound in the synthesis of various chemicals, including dyes and pharmaceuticals. Its versatile chemical structure allows for the creation of specific molecular arrangements required in the production of these compounds. In the field of agriculture, it plays a role in the formulation of herbicides and pesticides, contributing to crop protection and weed control. Additionally, it is used in the development of certain polymers and materials in the field of materials science. However, it's crucial to handle this compound with care, as it can be toxic and harmful to the environment if not managed properly, leading to stringent safety and regulatory measures in its various applications.

Technology Process of 4-Chloro-N-isopropylaniline

There total 16 articles about 4-Chloro-N-isopropylaniline 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: 99.0%

4-chloro-aniline (106-47-8) + diisopropylamine (108-18-9) → N-(4-chlorophenyl)-N-isopropylamine (770-40-1)

Guidance literature:

With chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); potassium carbonate; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201501109

Reference yield: 98.0%

4-chlorobenzonitrile (100-00-5) + acetone (67-64-1) → N-(4-chlorophenyl)-N-isopropylamine (770-40-1)

Guidance literature:

With hydrogen; In ethyl acetate; at 25 ℃; for 13h; under 7600.51 Torr;

DOI:10.1002/asia.201301184

Reference yield: 96.0%

4-chloro-aniline (106-47-8) + acetone (67-64-1) → N-(4-chlorophenyl)-N-isopropylamine (770-40-1)

Guidance literature:

With hydrogen; In ethyl acetate; at 25 ℃; for 12h; under 7600.51 Torr;

DOI:10.1002/asia.201301184

upstream raw materials:

4-chloro-aniline

isopropyl bromide

isopropylmagnesium chloride

4-chlorobenzonitrile

Downstream raw materials:

(4-chlorophenyl)(1-methylethyl)carbamic chloride

pentafluorobenzyl (N,N-isopropyl-p-chlorophenyl)carbamate

N,N'-<6-<<(4-chlorophenyl)(1-methylethyl)amino>methyl>-2,4-quinazolinediyl>bisbenzamide

4-chlorophenyl-N-isopropyl-α-chloroacetanilide