2,3,6-Trichlorobenzaldehyde

Base Information

• Chemical Name: 2,3,6-Trichlorobenzaldehyde
• CAS No.: 4659-47-6
• Molecular Formula: C7H3 Cl3 O
• Molecular Weight: 209.459
• Hs Code.: 29130000
• European Community (EC) Number: 225-104-5
• UNII: Q065LQH643
• DSSTox Substance ID: DTXSID20196878
• Nikkaji Number: J30.723H
• Wikidata: Q27286837
• Mol file: 4659-47-6.mol

Synonyms:2,3,6-TRICHLOROBENZALDEHYDE;4659-47-6;Benzaldehyde, 2,3,6-trichloro-;HSDB 2726;EINECS 225-104-5;MFCD00010216;BRN 2614285;UNII-Q065LQH643;Q065LQH643;4-07-00-00577 (Beilstein Handbook Reference);2,3,6-trichloro benzaldehyde;2,3,6-trichlorbenzaldehyd;SCHEMBL189622;DTXSID20196878;2,3,6-Trichlorobenzaldehyde, 97%;CK2111;AKOS000121395;AM84031;FS-4022;LS-25159;2,3,6-TRICHLOROBENZALDEHYDE [HSDB];A7241;FT-0635386;T1183;EN300-21232;Q27286837;F3095-4315;Z104494744

Chemical Property of 2,3,6-Trichlorobenzaldehyde

Chemical Property:

• Appearance/Colour: light beige powder
• Vapor Pressure: 0.00757mmHg at 25°C
• Melting Point: 87-89 °C(lit.)
• Boiling Point: 268.7°Cat760mmHg
• Flash Point: 111.3°C
• PSA: 17.07000
• Density: 1.529g/cm³
• LogP: 3.45930
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.924948
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,6-Trichlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: C1=CC(=C(C(=C1Cl)C=O)Cl)Cl
• Uses: 2,3,6-Trichlorobenzaldehyde has been used in the preparation of:2,3,6-trichloro-5-nitrobenzaldehyde2,3,6-trichloromandelic acid

Technology Process of 2,3,6-Trichlorobenzaldehyde

There total 11 articles about 2,3,6-Trichlorobenzaldehyde 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: 100.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,3,6-trichlorobenzaldehyde (4659-47-6)

Guidance literature:

1,2,4-Trichlorobenzene; With n-butyllithium; In tetrahydrofuran;

N,N-dimethyl-formamide; In tetrahydrofuran; at -65 ℃; for 1.5h;

DOI:10.1016/S0040-4039(03)01360-1

Reference yield:

2,6-dichloro-3-nitrobenzaldehyde (5866-97-7) → 2,3,6-trichlorobenzaldehyde (4659-47-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; at 50 - 60 ℃; Versetzen der Reaktionsloesung mit wss. NaNO₂-Loesung und anschliessendes Kochen mit CuCl in wss. HCl;

Reference yield:

1,2,4-trichloro-3-dichloromethyl-benzene (24653-85-8) → 2,3,6-trichlorobenzaldehyde (4659-47-6)

Guidance literature:

With sulfuric acid; anschliessenden Behandeln mit Eis;

upstream raw materials:

2,6-dichloro-3-nitrobenzaldehyde

1,2,4-trichloro-3-dichloromethyl-benzene

3-amino-2,6-dichloro-benzaldehyde

N,N-dimethyl-formamide

Downstream raw materials:

1-(2,3,6-trichloro-phenyl)-ethanol

2,3,6-trichloro-5-nitrobenzaldehyde

2,3,6-C₆H₂Cl₃CHNCH₂CH₂NMe₂

3'-hydroxy-2,3,6-trichlorochalcone

Refernces