2-Chloro-5-nitrophenol

Base Information

• Chemical Name: 2-Chloro-5-nitrophenol
• CAS No.: 619-10-3
• Molecular Formula: C6H4 Cl N O3
• Molecular Weight: 173.556
• Hs Code.: 2908999090
• European Community (EC) Number: 210-579-3
• NSC Number: 212119
• DSSTox Substance ID: DTXSID60210921
• Nikkaji Number: J95.668F
• Wikidata: Q72455888
• Mol file: 619-10-3.mol

Synonyms:2-Chloro-5-nitrophenol;619-10-3;Phenol, 2-chloro-5-nitro-;6-Chloro-3-nitrophenol;EINECS 210-579-3;MFCD01571825;5-nitro-2-chlorophenol;2-chloro-5-nitro-phenol;NSC212119;2-chloro-5-nitro phenol;SCHEMBL343604;BUMGQSCPTLELLS-UHFFFAOYSA-;DTXSID60210921;AMY18244;BBL034820;STK399776;AKOS005157673;AKOS025395583;AC-2883;CS-W021663;NSC 212119;NSC-212119;PS-6294;SY003235;C2077;FT-0602490;EN300-49224;O10742;Q-100714;Z57160128

Chemical Property of 2-Chloro-5-nitrophenol

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0.0029mmHg at 25°C
• Melting Point: 125-129 ºC
• Boiling Point: 276.1 °C at 760 mmHg
• PKA: 6.72±0.19(Predicted)
• Flash Point: 120.8 °C
• PSA: 66.05000
• Density: 1.554 g/cm³
• LogP: 2.47700
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.9879707
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)Cl
• Uses: 2-Chloro-5-nitrophenol (cas# 619-10-3) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-5-nitrophenol

There total 16 articles about 2-Chloro-5-nitrophenol 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: 94.0%

1-chloro-2-((4-methoxybenzyl)oxy)-4-nitrobenzene (1351353-49-5) → 5-nitro-2-chlorophenol (619-10-3)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at 20 ℃; for 0.416667h;

DOI:10.1039/c3ra42113a

Reference yield: 92.0%

5-Nitro-2-aminophenol (121-88-0) → 5-nitro-2-chlorophenol (619-10-3)

Guidance literature:

5-Nitro-2-aminophenol; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With hydrogenchloride; copper(l) chloride; In water; at 60 - 80 ℃;

Reference yield: 68.0%

2-chloro-5-nitroanisole (1009-36-5) → 5-nitro-2-chlorophenol (619-10-3)

Guidance literature:

2-chloro-5-nitroanisole; With boron tribromide; In dichloromethane; at -78 - 4 ℃; Inert atmosphere;

With methanol; water; In dichloromethane;

upstream raw materials:

2-chloro-5-nitroanisole

1-chloro-2-ethoxy-4-nitrobenzene

5-Nitro-2-aminophenol

2-methoxy-4-nitrophenylamine

Downstream raw materials:

4-[5-(2-Chloro-5-nitro-phenoxy)-pentyloxy]-benzenesulfonyl fluoride

2-(5-Bromo-pentyloxy)-1-chloro-4-nitro-benzene

2-(3-bromopropoxy)-1-chloro-4-nitrobenzene

1-chloro-2-(3-methyl-2-butenyloxy)-4-nitrobenzene

Refernces

• 1、 Rai, Diwakar,Chen, Wenmin,Tian, Ye,Chen, Xuwang,Zhan, Peng,De Clercq, Erik,Pannecouque, Christophe,Balzarini, Jan,Liu, Xinyong. "Design, synthesis and biological evaluation of 3-benzyloxy-linked pyrimidinylphenylamine derivatives as potent HIV-1 NNRTIs". . p. 7398 - 7405. Retrieved 2013/11/19.
• 2、 Ilangovan, Andivelu,Saravanakumar, Shanmugasundar,Malayappasamy, Subramani,Manickam, Govindaswamy. "A convenient approach for the deprotection and scavenging of the PMB group using POCl3". . p. 14814 - 14828. Retrieved 2013/09/02.