3,4-Dichlorobenzaldehyde

Base Information

• Chemical Name: 3,4-Dichlorobenzaldehyde
• CAS No.: 6287-38-3
• Molecular Formula: C7H4Cl2O
• Molecular Weight: 175.014
• Hs Code.: 29130000
• European Community (EC) Number: 228-520-5
• NSC Number: 8763
• UN Number: 1759
• UNII: I6Z632WSJ5
• DSSTox Substance ID: DTXSID0024971
• Nikkaji Number: J30.721A
• Wikidata: Q27280518
• ChEMBL ID: CHEMBL1528012
• Mol file: 6287-38-3.mol

Synonyms:3,4-DICHLOROBENZALDEHYDE;6287-38-3;Benzaldehyde, 3,4-dichloro-;CCRIS 6015;NSC 8763;EINECS 228-520-5;MFCD00003351;UNII-I6Z632WSJ5;I6Z632WSJ5;CHEMBL1528012;DTXSID0024971;NSC-8763;NSC8763;3,4-dichlorobenzaldehye;3,4-dichlorobenzaldhyde;3,4 dichlorobenzaldehyde;3,4-dichlorobenzaidehyde;3.4-dichlorobenzaldehyde;4,3-dichlorobenzaldehyde;3,4-dichloro-benzaldehyde;3,4-dichlorobenzal-dehyde;3,4-Dichloro benzaldehyde;SCHEMBL48577;MLS002415698;M,P-DICHLOROBENZALDEHYDE;DTXCID704971;3,4-Dichlorobenzaldehyde, 95%;(3,4-dichloro-phenyl)-methanone;HMS3039L03;DICHLOROBENZALDEHYDE, 3,4-;STR00782;Tox21_200040;BDBM50461952;STL286531;AKOS000119756;AC-2534;AM81353;CS-W007504;LS-1513;3,4-DICHLOROBENZENECARBOXALDEHYDE;NCGC00091729-01;NCGC00091729-02;NCGC00257594-01;SMR001370886;CAS-6287-38-3;D0332;FT-0614224;EN300-18315;D77681;A834060;W-104949;Q27280518;Z57887872;F3099-6602

Chemical Property of 3,4-Dichlorobenzaldehyde

Chemical Property:

• Appearance/Colour: White crystalline solid or chunky powder
• Vapor Pressure: 0.0237mmHg at 25°C
• Melting Point: 39-42 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 248.8 °C at 760 mmHg
• Flash Point: 102 °C
• PSA: 17.07000
• Density: 1.4 g/cm³
• LogP: 2.80590
• Storage Temp.: 0-6°C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: INSOLUBLE
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9639201
• Heavy Atom Count: 10
• Complexity: 127
• Transport DOT Label: Corrosive

Purity/Quality:

≥99% ^*data from raw suppliers

3,4-Dichlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,4-Dichlorobenzaldehyde

There total 24 articles about 3,4-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: 98.0%

3,4-dichlorobenzyl alcohol (1805-32-9) → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With tert.-butylhydroperoxide; at 80 ℃; for 7h; Green chemistry;

DOI:10.1016/j.crci.2016.08.003

Reference yield: 90.0%

3,4-Cl2-Ph-CH2OTMS (1162648-58-9) → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With copper(II) nitrate trihydrate; water; silica gel; potassium bromide; at 90 ℃; for 0.7h; Neat (no solvent);

DOI:10.1080/10426507.2011.614300

Reference yield: 88.0%

3,4-dichlorobenzylideneaniline → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With hydrogenchloride; water; In diethyl ether; toluene; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201200319

upstream raw materials:

4-chloro-3-nitro-benzaldehyde

3,4-dichlorobenzyl dibromide

3,4-dichlorostyrene

3,4-dichlorobenzyl alcohol

Downstream raw materials:

3t-(3,4-dichloro-phenyl)-2-methyl-acrylic acid

2-(3,4-dichloro-trans-styryl)-1-hexyl-pyridinium; bromide

1-(5-chloro-[2]thienyl)-3t-(3,4-dichloro-phenyl)-propenone

1-(5-bromo-[2]thienyl)-3t-(3,4-dichloro-phenyl)-propenone

Refernces

• 1、 Hong, Boseok,Aganda, Kim Christopher C.,Lee, Anna. "Oxidative C-S Bond Cleavage of Benzyl Thiols Enabled by Visible-Light-Mediated Silver(II) Complexes". supporting information. p. 4395 - 4399. Retrieved 2020/06/05.
• 2、 Rostami, Amin,Pourshiani, Omid,Darvishi, Neda,Atashkar, Bahareh. "Efficient and green oxidation of alcohols with tert-butyl hydrogenperoxide catalyzed by a recyclable magnetic core-shell nanoparticle-supported oxo-vanadium ephedrine complex". . p. 435 - 439. Retrieved 2017/03/15.