3-(Bromomethyl)benzaldehyde

Base Information

• Chemical Name: 3-(Bromomethyl)benzaldehyde
• CAS No.: 82072-23-9
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• European Community (EC) Number: 690-682-1
• DSSTox Substance ID: DTXSID80427817
• Nikkaji Number: J2.200.585E
• Wikidata: Q72446624
• Mol file: 82072-23-9.mol

Synonyms:3-(bromomethyl)benzaldehyde;82072-23-9;3-bromomethylbenzaldehyde;Benzaldehyde, 3-(bromomethyl)-;3-Bromomethyl-benzaldehyde;MFCD06797497;alpha-Bromo-m-tolualdehyde;3-(bromomethyl)-benzaldehyde;SCHEMBL190072;DTXSID80427817;OEPGAYXSRGROSQ-UHFFFAOYSA-N;BBL103876;CL8311;STL557686;AKOS005257291;CS-W004961;DS-14575;SY033935;AM20041203;FT-0600730;EN300-202821;Z1201623840;2-[(8-CHLORO-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-HEXADECAFLUOROOCTYL)OXY]-1,1,2,2-TETRAFLUOROETHANESULFONYLFLUORIDE

Chemical Property of 3-(Bromomethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.616
• Boiling Point: 269.742 °C at 760 mmHg
• Flash Point: 101.268 °C
• PSA: 17.07000
• Density: 1.524 g/cm³
• LogP: 2.39400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%, ^*data from raw suppliers

3-Bromomethyl-benzaldehyde 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/22-34
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C=O)CBr

Technology Process of 3-(Bromomethyl)benzaldehyde

There total 8 articles about 3-(Bromomethyl)benzaldehyde 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%

m-(bromomethyl)benzonitrile (28188-41-2) → 3-(bromomethyl)benzaldehyde (82072-23-9)

Guidance literature:

m-(bromomethyl)benzonitrile; With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at 0 ℃; for 2.5h;

With hydrogenchloride; water; In tetrahydrofuran; dichloromethane; toluene; for 1h;

Reference yield: 80.0%

3-hydroxymethylbenzyl bromide (82072-22-8) → 3-(bromomethyl)benzaldehyde (82072-23-9)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 20h;

DOI:10.3390/molecules25153341

Reference yield: 77.0%

hydrogenchloride (7647-01-0,15364-23-5) + m-(bromomethyl)benzonitrile (28188-41-2) → 3-(bromomethyl)benzaldehyde (82072-23-9)

Guidance literature:

With dibal-H; In toluene;

upstream raw materials:

3-(hydroxymethyl)benzaldehyde

m-(bromomethyl)benzonitrile

Isophthalaldehyde

diisobutylaluminium hydride

Downstream raw materials:

5,10,15,20-tetrakis(α-bromo-m-tolyl)porphyrin

5,10,15-Tris(α-bromo-m-tolyl)-20-m-tolylporphyrin

α-(N'-5-Fluorouracilo)-m-tolualdehyde

3,3′-(thiobis(methylene))dibenzaldehyde