3,5-Dichlorobenzaldehyde

Base Information

• Chemical Name: 3,5-Dichlorobenzaldehyde
• CAS No.: 10203-08-4
• Molecular Formula: C7H4Cl2O
• Molecular Weight: 175.014
• Hs Code.: 29130000
• European Community (EC) Number: 233-499-0
• NSC Number: 109095
• UNII: M74YU7SE79
• DSSTox Substance ID: DTXSID2064997
• Nikkaji Number: J81.471G
• Wikidata: Q72465437
• ChEMBL ID: CHEMBL4577243
• Mol file: 10203-08-4.mol

Synonyms:3,5-Dichlorobenzaldehyde;10203-08-4;Benzaldehyde, 3,5-dichloro-;3,5-Dichloro-benzaldehyde;M74YU7SE79;EINECS 233-499-0;MFCD00003352;NSC 109095;NSC-109095;NSC109095;3,5-dichlorobezaldehyde;Benzaldehyde,5-dichloro-;3,5-dichloro benzaldehyde;UNII-M74YU7SE79;SCHEMBL42392;CHEMBL4577243;DTXSID2064997;3,5-Dichlorobenzaldehyde, 97%;2,6-DICHLORO-4-BENZALDEHYDE;AKOS004905911;AB00316;CS-W017471;PS-6064;AC-23850;A1784;AM20020096;D2012;FT-0614552;FT-0658215;EN300-45020;W-108891;F2191-0162;Z452409804

Chemical Property of 3,5-Dichlorobenzaldehyde

Chemical Property:

• Appearance/Colour: white to slightly yellow fluffy powder
• Vapor Pressure: 0.0365mmHg at 25°C
• Melting Point: 63.5-65.5 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 241.1 °C at 760 mmHg
• Flash Point: 98.3 °C
• PSA: 17.07000
• Density: 1.4 g/cm³
• LogP: 2.80590
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9639201
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99%min ^*data from raw suppliers

3,5-Dichlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,Xn
• Hazard Codes: C,Xi,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39-45-22-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
• Uses: 3,5-Dichlorobenzaldehyde was used as starting reagent during synthesis of β-aryl-β-amino acid enantiomers. It was used in the synthesis of dichlorophenylpyruvic acid.

Technology Process of 3,5-Dichlorobenzaldehyde

There total 15 articles about 3,5-Dichlorobenzaldehyde 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: 82.0%

3,5-dichloro-N,N-diethylbenzamide (35515-07-2) → 3,5-dichlorobenzaldehyde (10203-08-4)

Guidance literature:

With Schwartz's reagent; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.15227/orgsyn.088.0427

Reference yield: 80.0%

3,5-dichlorobenzaldehyde oxime (93033-57-9) → 3,5-dichlorobenzaldehyde (10203-08-4)

Guidance literature:

With potassium sulfate; potassium hydrogensulfate; potassium peroxomonosulfate; acetic acid; In water; at 40 - 45 ℃; for 3.5h;

DOI:10.1080/00397919708005905

Reference yield: 39.2%

3,5-dichlorotoluene (25186-47-4) → 3,5-dichlorobenzaldehyde (10203-08-4)

Guidance literature:

With sodium molybdate; dihydrogen peroxide; cobalt(II) acetate; acetic acid; sodium bromide; at 105 ℃; for 0.166667h; Temperature;

upstream raw materials:

3,5-dichlorobenzyl alcohol

3,5-dichlorobenzoyl chloride

3,5-dichlorobenzaldehyde oxime

sulfuric acid

Downstream raw materials:

2-(3,5-dichloro-trans-styryl)-1-methyl-pyridinium; iodide

3,5-dichloro-α-benzenemethanol

3,5-dichlorobenzyl alcohol

3,5-dichlorobenzoic acid

Refernces

• 1、 Asinger,Lock. "-". . p. 344,347. Retrieved 1933.
• 2、 -. "Preparation method of 5, 7-dichloro-1, 2, 3, 4-tetrahydroisoquinoline". . . Retrieved 2021/02/06.
• 3、 Liu, Jian-Bo,Xu, Xiu-Hua,Qing, Feng-Ling. "Silver-Mediated Oxidative Trifluoromethylation of Alcohols to Alkyl Trifluoromethyl Ethers". supporting information. p. 5048 - 5051. Retrieved 2015/11/03.