4-Chloro-3-nitrophenol

Base Information

• Chemical Name: 4-Chloro-3-nitrophenol
• CAS No.: 610-78-6
• Molecular Formula: C6H4 Cl N O3
• Molecular Weight: 173.556
• Hs Code.: 29089000
• NSC Number: 211001
• DSSTox Substance ID: DTXSID90209863
• Nikkaji Number: J95.665A
• Wikidata: Q72455890
• Mol file: 610-78-6.mol

Synonyms:4-Chloro-3-nitrophenol;610-78-6;Phenol, 4-chloro-3-nitro-;4-chloro-3-nitro-phenol;MFCD00043546;NSC211001;4chloro-3-nitrophenol;4-Chlor-3-nitro-phenol;3-nitro-4-chloro phenol;4-chloranyl-3-nitro-phenol;SCHEMBL545300;2-chloro-5-hydroxy nitrobenzene;4-Chloro-3-nitrophenol, 98%;DTXSID90209863;STR05013;GEO-00756;AKOS005258127;NSC 211001;NSC-211001;AC-26255;AM808225;CS-0094688;FT-0618095;EN300-175002;A833034

Chemical Property of 4-Chloro-3-nitrophenol

Chemical Property:

• Appearance/Colour: brown
• Vapor Pressure: 0.000367mmHg at 25°C
• Melting Point: 125-128 ºC
• Refractive Index: 1.626
• Boiling Point: 308.8 ºC at 760 mmHg
• PKA: 7.70±0.10(Predicted)
• Flash Point: 140.5 ºC
• PSA: 66.05000
• Density: 1.554 g/cmºC
• LogP: 2.47700
• Storage Temp.: Store below +30°C.
• XLogP3: 1.9
• 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:

99% ^*data from raw suppliers

4-Chloro-3-nitrophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-36/37/381
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
• Uses: 4-Chloro-3-nitrophenol may be used as sole carbon and energy supplement for Pseudomonas sp. JHN.

Technology Process of 4-Chloro-3-nitrophenol

There total 33 articles about 4-Chloro-3-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: 96.0%

2-chloro-5-methoxynitrobenzene (10298-80-3) → 3-nitro-4-chlorophenol (610-78-6)

Guidance literature:

With hydrogen bromide; In acetic acid; for 41h; Heating;

DOI:10.1021/jm00398a017

Reference yield:

4-acetamido-3-nitrophenyl acetate (2243-69-8) → 3-nitro-4-chlorophenol (610-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrobromic acid

2: aqueous HCl / Diazotization_.Behandlung der Diazoniumsalz-Loesung mit Kupfer-Pulver in wss. HCl

With hydrogenchloride; hydrogen bromide;

DOI:10.1039/jr9300000928

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 3-chloro-6-methoxy-2-nitro-benzonitrile → methylene chloride (74-87-3) + carbon dioxide (124-38-9,18923-20-1) + 3-nitro-4-chlorophenol (610-78-6) + ammonium chloride

Guidance literature:

im geschlossenen Rohr;

upstream raw materials:

meta-nitrophenol

tris(4-chlorophenyl) phosphate

4-hydroxy-2-nitroaniline

1-chloro-4-ethoxy-2-nitrobenzene

Downstream raw materials:

4,6-dichloro-1-hydroxy-3-aminobenzene

3-amino-4-chlorophenol

4-chloro-3-nitrophenyl acetate

Isochlorthion

Refernces

• 1、 -. "NITRATION". Page/Page column 36; 46; 44; 71. . Retrieved 2020/05/28.
• 2、 Cevasco, Giorgio,Thea, Sergio,Vigo, Daniele,Williams, Andrew,Zaman, Flora. "Catalysis and inhibition of ester hydrolysis in the presence of resorcinarene hosts functionalized with dimethylamino groups". . p. 630 - 636. Retrieved 2008/02/08.