4-Chloro-3-nitropyridine hydrochloride

Base Information

• Chemical Name: 4-Chloro-3-nitropyridine hydrochloride
• CAS No.: 54079-68-4
• Molecular Formula: C5H3ClN2O2^.HCl
• Molecular Weight: 195.005
• Hs Code.: 2933399090
• European Community (EC) Number: 678-887-4
• DSSTox Substance ID: DTXSID30482118
• Mol file: 54079-68-4.mol

Synonyms:4-CHLORO-3-NITROPYRIDINE HYDROCHLORIDE;54079-68-4;4-chloro-3-nitropyridine;hydrochloride;4-CHLORO-3-NITROPYRIDINE MONOHYDROCHLORIDE;4-chloro-3-nitropyridine hcl;MFCD02683026;4-chloro-3-nitro-pyridine hydrochloride;4-Chloro-3-nitropyridinemonohydrochloride;C5H4Cl2N2O2;SCHEMBL1137081;DTXSID30482118;YTPDMOPPRVGKEW-UHFFFAOYSA-N;AKOS006228399;3-Nitro-4-chloropyridine hydrochloride;SB52854;AS-76625;4-CHLORO-3-NITROPYRIDINEHYDROCHLORIDE;FT-0618097;A829949;J-515030

Chemical Property of 4-Chloro-3-nitropyridine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00299mmHg at 25°C
• Melting Point: 135-138°C
• Boiling Point: 279.9 °C at 760 mmHg
• Flash Point: 279.9 °C at 760 mmHg
• PSA: 58.71000
• LogP: 2.96840
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.9649828
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%, ^*data from raw suppliers

4-Chloro-3-nitropyridinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Cl)[N+](=O)[O-].Cl

Technology Process of 4-Chloro-3-nitropyridine hydrochloride

There total 2 articles about 4-Chloro-3-nitropyridine hydrochloride 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: 83.0%

4-hydroxy-3-nitropyridine (5435-54-1) → 3-nitro-4-chloropyridine hydrochloride (54079-68-4)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 120 ℃;

Reference yield:

→ 3-nitro-4-chloropyridine hydrochloride (54079-68-4) + 4-(benzyloxy)-3-nitropyridine (80352-64-3)

Guidance literature:

Reference yield:

4-methoxyphenylboronic acid (5720-07-0) + 3-nitro-4-chloropyridine hydrochloride (54079-68-4) → 4-(4-methoxyphenyl)-3-nitropyridine (227473-79-2)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 10h; Heating / reflux;

upstream raw materials:

4-hydroxy-3-nitropyridine

Downstream raw materials:

4-ethoxy-3-nitropyridine

3-nitro-4-thiocyanato-pyridine

4-(4-methoxyphenyl)-3-nitropyridine

1H-indol-1-amine

Refernces

• 1、 Dyall, Leonard K.,Wah, Wong Ming. "Pyrolysis of Aryl Azides. VI Identification of Neighbouring Group Effects in Pyrolysis of Azidopyridines and Azidoquinolines". . p. 1045 - 1059. Retrieved 2007/10/02.