4-Chloro-N-ethyl-2-nitroaniline

Base Information

• Chemical Name: 4-Chloro-N-ethyl-2-nitroaniline
• CAS No.: 28491-95-4
• Molecular Formula: C8H9 Cl N2 O2
• Molecular Weight: 200.625
• Hs Code.: 2921420090
• European Community (EC) Number: 249-055-4
• NSC Number: 96625
• DSSTox Substance ID: DTXSID5067392
• Nikkaji Number: J28.363K
• Wikidata: Q81993976
• Mol file: 28491-95-4.mol

Synonyms:4-Chloro-N-ethyl-2-nitroaniline;28491-95-4;N-ETHYL 4-CHLORO-2-NITROANILINE;Benzenamine, 4-chloro-N-ethyl-2-nitro-;n-ethyl-4-chloro-2-nitroaniline;Aniline, 4-chloro-N-ethyl-2-nitro-;EINECS 249-055-4;NSC 96625;N-ethyl-4-chloro-2-nitro-aniline;NSC96625;N-ETHYL4-CHLORO-2-NITROANILINE;Maybridge1_008530;Cambridge id 5160039;SCHEMBL5149985;DTXSID5067392;HMS565L16;n1-ethyl-4-chloro-2-nitroaniline;MFCD00024323;NSC-96625;STK366272;AKOS005209119;N-(4-chloro-2-nitrophenyl)-N-ethylamine;CS-0298625;FT-0629704;EN300-164361

Chemical Property of 4-Chloro-N-ethyl-2-nitroaniline

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 328.9°Cat760mmHg
• PKA: -1.62±0.50(Predicted)
• Flash Point: 152.7°C
• PSA: 57.85000
• Density: 1.344g/cm³
• LogP: 3.27620
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.0352552
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

4-CHLORO-N-ETHYL-2-NITROANILINE Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-N-ethyl-2-nitroaniline

There total 13 articles about 4-Chloro-N-ethyl-2-nitroaniline 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: 97.0%

2-fluoro-5-chloronitrobenzene (345-18-6) + ethanamine hydrochloride (557-66-4) → N-ethyl-4-chloro-2-nitro-aniline (28491-95-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 2h;

DOI:10.1002/anie.201807135

Reference yield: 89.0%

ethylamine (75-04-7,85404-22-4) + 2,5-dichloronitrobenzene (89-61-2) → N-ethyl-4-chloro-2-nitro-aniline (28491-95-4)

Guidance literature:

In ethanol;

Reference yield: 72.0%

4-chloro-N,N-diethylaniline (2873-89-4) → N-ethyl-4-chloro-2-nitro-aniline (28491-95-4)

Guidance literature:

With iodic acid; sodium nitrite; In water; at 20 ℃; for 0.0833333h;

DOI:10.1246/cl.2010.808

upstream raw materials:

ethylamine

2,5-dichloronitrobenzene

4-chloro-N,N-diethylaniline

4-chloro-N-ethyl-N-methylaniline

Downstream raw materials:

C₂₁H₂₂ClN₃O₃

7-chloro-1-ethyl-5-phenyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione

1-ethyl-5-chloro-1H-benzimidazole