2,3,5-Trichlorobenzaldehyde

Base Information

• Chemical Name: 2,3,5-Trichlorobenzaldehyde
• CAS No.: 56961-75-2
• Molecular Formula: C7H3 Cl3 O
• Molecular Weight: 209.459
• Hs Code.: 29130000
• European Community (EC) Number: 626-196-3
• DSSTox Substance ID: DTXSID3069146
• Nikkaji Number: J209.035J
• Wikidata: Q72510203
• Mol file: 56961-75-2.mol

Synonyms:2,3,5-Trichlorobenzaldehyde;56961-75-2;Benzaldehyde, 2,3,5-trichloro-;MFCD00010860;SCHEMBL189844;DTXSID3069146;DJYRZTCLVDKWBL-UHFFFAOYSA-;2,3,5-Trichlorobenzaldehyde, 98%;CL8240;AKOS005254300;CS-W021478;DS-2628;AC-25650;FT-0609445;T1182;3,3-Bis(4-chlorophenyl)pyrrolidine-2,5-dione;EN300-213649;Z1269186376

Chemical Property of 2,3,5-Trichlorobenzaldehyde

Chemical Property:

• Appearance/Colour: white or slightly beige powder
• Vapor Pressure: 0.00717mmHg at 25°C
• Melting Point: 73-75 °C(lit.)
• Refractive Index: 1.613
• Boiling Point: 269.6 °C at 760 mmHg
• Flash Point: 111.7 °C
• PSA: 17.07000
• Density: 1.529 g/cm³
• LogP: 3.45930
• Storage Temp.: Store below +30°C.
• XLogP3: 3.3
• 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

2,3,5-Trichlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3,5-Trichlorobenzaldehyde

There total 6 articles about 2,3,5-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:

2,3,5-trichloro-toluene (56961-86-5) → 2,3,5-trichlorobenzaldehyde (56961-75-2)

Guidance literature:

Reference yield:

[1-(2,3,5-Trichloro-phenyl)-meth-(Z)-ylidene]-carbamic acid tert-butyl ester (163226-29-7) → 2,3,5-trichlorobenzaldehyde (56961-75-2) + (2,3,5-Trichloro-benzoyl)-carbamic acid tert-butyl ester + N-tert-butoxycarbonyl-3-(2,3,5-trichlorophenyl)oxaziridine (163226-33-3)

Guidance literature:

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In hexane; dichloromethane; -78 degC, 2 h, room t., 30 min;

DOI:10.1016/0040-4039(95)00025-8

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,3,5-trichlorobenzaldehyde (56961-75-2)

Guidance literature:

1,2,4-Trichlorobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1021/jacs.0c11056

upstream raw materials:

2,3,5-trichloro-toluene

2,5-dichloro-3-nitrobenzaldehyde

[1-(2,3,5-Trichloro-phenyl)-meth-(Z)-ylidene]-carbamic acid tert-butyl ester

2,5-dichloro-benzaldehyde

Downstream raw materials:

2,3,5-trichlorobenzoic acid

3-(2,3,5-trichlorophenyl)pentanedinitrile

[1-(2,3,5-Trichloro-phenyl)-meth-(Z)-ylidene]-carbamic acid tert-butyl ester

2,3,5-trichlorophenylmethanol

Refernces

• 1、 -. "Isoquinoline compound melanocortin receptor ligands and methods of using same". . . Retrieved 2008/06/13.