3-Chlorobenzaldehyde

Base Information

• Chemical Name: 3-Chlorobenzaldehyde
• CAS No.: 587-04-2
• Molecular Formula: C7H5ClO
• Molecular Weight: 140.569
• Hs Code.: 29130000
• European Community (EC) Number: 209-596-9
• NSC Number: 60107
• UNII: QPX6TA6X3R
• DSSTox Substance ID: DTXSID1074591
• Nikkaji Number: J96.205H
• Wikidata: Q2976906
• ChEMBL ID: CHEMBL4567544
• Mol file: 587-04-2.mol

Synonyms:Benzaldehyde, m-chloro- (8CI);m-Chlorobenzaldehyde;Benzaldehyde, 3-chloro- (9CI);Benzaldehyde, m-chloro-;3-chloro benzaldehyde;

Chemical Property of 3-Chlorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.164mmHg at 25°C
• Melting Point: 9-12 °C(lit.)
• Refractive Index: n20/D 1.563(lit.)
• Boiling Point: 213.5 °C at 760 mmHg
• Flash Point: 85.4 °C
• PSA: 17.07000
• Density: 1.243 g/cm³
• LogP: 2.15250
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: insoluble
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 140.0028925
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C=O
• Uses: 3-Chlorobenzaldehyde, is used as a medicine, dye intermediates and speciality chemicals. It is mainly used to produce medicine material and intermediate, chloral alcoholate and intermediate of acid mordant azurine-6B on dyestuff.

Technology Process of 3-Chlorobenzaldehyde

There total 160 articles about 3-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: 92.0%

m-chlorobenzylamine (4152-90-3) → 3-chlorobenzamide (618-48-4) + m-Chlorobenzaldehyde (587-04-2)

Guidance literature:

With water; oxygen; at 140 ℃; for 10h; under 3800.26 Torr;

DOI:10.1002/anie.200802464

Reference yield: 66.0%

m-chlorobenzyl alcohol (873-63-2) → m-Chlorobenzaldehyde (587-04-2) + 3-chlorobenzoate (535-80-8)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; In aq. phosphate buffer; acetonitrile; at 20 ℃; for 24h; pH=6; Enzymatic reaction;

DOI:10.1039/c6ra00103c

Reference yield: 35.0%

1-(3-Chloro-benzyl)-2-(2-nitro-phenyl)-4,6-diphenyl-pyridinium; perchlorate → m-Chlorobenzaldehyde (587-04-2) + 2-(2-nitrosophenyl)-4,6-diphenylpyridine (81641-19-2) + 2-(2-hydroxyaminophenyl)-4,6-diphenyl-pyridine (81641-20-5) + 3-chlorobenzoate (535-80-8)

Guidance literature:

With sodium methylate; In methanol; 35 deg C -> 20 deg C, 2 h;

DOI:10.1039/P19820000137

upstream raw materials:

1-chloro-3-methylbenzene

3-chloro-benzonitrile

m-chlorobenzyl alcohol

3-nitro-benzaldehyde

Downstream raw materials:

N'-[(E)-(3-chloro-phenyl)methylidene]isonicotinohydrazide

2-(3-chloro-benzylidenamino)-benz[de]isoquinoline-1,3-dione

acetyl-(3-chloro-benzoyl)-peroxide

3-Chlorostyrene

Refernces

• 1、 Safaei, Elham,Mohebbi, Sajjad. "Boosted photocatalytic performance of uniform hetero-nanostructures of Bi2WO6/CdS and Bi2WO6/ZnS for aerobic selective alcohol oxidation". . p. 173 - 181. Retrieved 2019.
• 2、 Azeez, Sadaf,Kandasamy, Jeyakumar,Sabiah, Shahulhameed,Sureshbabu, Popuri. "Controlled reduction of activated primary and secondary amides into aldehydes with diisobutylaluminum hydride". supporting information. p. 2048 - 2053. Retrieved 2022/03/31.
• 3、 -. "METHOD FOR OXIDATIVE CLEAVAGE OF COMPOUNDS WITH UNSATURATED DOUBLE BOND". Paragraph 0071; 0077. . Retrieved 2021/07/10.