3-Chloro-5-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Chloro-5-nitrobenzaldehyde
• CAS No.: 22233-54-1
• Molecular Formula: C7H4ClNO3
• Molecular Weight: 185.567
• Hs Code.: 2913000090
• European Community (EC) Number: 968-569-6
• DSSTox Substance ID: DTXSID40482321
• Wikidata: Q82318525
• Mol file: 22233-54-1.mol

Synonyms:3-Chloro-5-nitrobenzaldehyde;22233-54-1;MFCD08236780;Benzaldehyde,3-chloro-5-nitro-;3-nitro-5-chlorobenzaldehyde;3-Chloro-5-nitro-benzaldehyde;SCHEMBL2537590;DTXSID40482321;KXGORBDLPVCCOJ-UHFFFAOYSA-N;CL8318;AKOS005257243;AB43996;CS-W021905;GS-4184;SY110857;FT-0600620;EN300-257152;A816032;Z1198176672

Chemical Property of 3-Chloro-5-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00358mmHg at 25°C
• Refractive Index: 1.63
• Boiling Point: 281.4 °C at 760 mmHg
• Flash Point: 124 °C
• PSA: 62.89000
• Density: 1.485 g/cm³
• LogP: 2.58390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.9879707
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-5-nitrobenzaldehyde

There total 6 articles about 3-Chloro-5-nitrobenzaldehyde 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:

3,5-dinitrobenzyl alcohol (71022-43-0) → 3-chloro-5-nitrobenzaldehyde (22233-54-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 62 percent / (NH₄)2S / methanol / 5 h / Heating

2: 1.) HNO₂, 2.) CuCl₂, CuCl, 12percent aq. HCl / 1.) 0 deg C, 2.) 60 deg C, 1 h

3: MnO₂ / benzene / 24 h / Heating

With hydrogenchloride; manganese(IV) oxide; diammonium sulfide; cis-nitrous acid; copper(l) chloride; copper dichloride; In methanol; benzene;

DOI:10.1021/jm00375a005

Reference yield:

(3-chloro-5-nitrophenyl)methanol (79944-62-0) → 3-chloro-5-nitrobenzaldehyde (22233-54-1)

Guidance literature:

With manganese(IV) oxide; In benzene; for 24h; Heating;

DOI:10.1021/jm00375a005

Reference yield:

(3-amino-5-nitrophenyl)methanol (90390-46-8) → 3-chloro-5-nitrobenzaldehyde (22233-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaNO₂; HCl; CuCl₂ / 60 °C

2: MnO₂ / CH₂Cl₂ / 25 °C

With hydrogenchloride; manganese(IV) oxide; copper dichloride; sodium nitrite; In dichloromethane;

DOI:10.1021/jm0305974

upstream raw materials:

3-chloro-5-nitrotoluene

(3-chloro-5-nitrophenyl)methanol

(3-amino-5-nitrophenyl)methanol

3,5-dinitrobenzyl alcohol

Downstream raw materials:

(E)-3-chloro-5,β-dinitro-styrene

3-(3-chloro-5-nitro-phenyl)-acrylonitrile

(S)-2-(1-aminoethyl)-5-chloro-3-(3-chloro-5-(difluoromethyl)phenyl)quinazolin-4(3H)-one

(S)-tert-butyl 1-(5-chloro-3-(3-chloro-5-(difluoromethyl)phenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethylcarbamate

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