3-Amino-4-chlorobenzaldehyde

Base Information

• Chemical Name: 3-Amino-4-chlorobenzaldehyde
• CAS No.: 77740-83-1
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.584
• NSC Number: 57185
• DSSTox Substance ID: DTXSID70288656
• Nikkaji Number: J1.818.215G
• Wikidata: Q82025737

Synonyms:3-amino-4-chlorobenzaldehyde;77740-83-1;NSC57185;SCHEMBL3957759;DTXSID70288656;KLIDNCHOWGDFKQ-UHFFFAOYSA-N;NSC-57185;CS-0370459

Chemical Property of 3-Amino-4-chlorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Boiling Point: 284.1°Cat760mmHg
• Flash Point: 125.6°C
• Density: 1.348g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)N)Cl

Technology Process of 3-Amino-4-chlorobenzaldehyde

There total 2 articles about 3-Amino-4-chlorobenzaldehyde 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: 98.0%

4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-chloro-3-aminobenzaldehyde (77740-83-1)

Guidance literature:

With sodium tetrahydroborate; water; In neat (no solvent); at 20 ℃; for 0.00833333h; Reagent/catalyst; Milling;

DOI:10.1071/CH18200

Reference yield: 22.0%

N'-diheptyl-4,4'-bipyridinium dibromide + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-chloro-3-aminobenzaldehyde (77740-83-1)

Guidance literature:

With potassium carbonate; In dichloromethane; water; ethyl acetate;

Reference yield: 85.0%

4-chloro-3-aminobenzaldehyde (77740-83-1) → m-aminobenzaldehyde (1709-44-0,29159-23-7)

Guidance literature:

With ammonium formate; PdMCM-41; In methanol; at 69.84 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.02.098

upstream raw materials:

4-chloro-3-nitro-benzaldehyde

Downstream raw materials:

m-aminobenzaldehyde

9-(3-bromo-4-chlorophenyl)-2,3,5,6,7,9-hexahydrothieno[3,2-b]quinolin-8(4H)-one 1,1-dioxide

N-(2-chloro-5-formylphenyl)-5-methylisoxazole-3-carboxamide

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