3,5-Dibromobenzaldehyde

Base Information

• Chemical Name: 3,5-Dibromobenzaldehyde
• CAS No.: 56990-02-4
• Molecular Formula: C7H4Br2O
• Molecular Weight: 263.916
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID80347485
• Nikkaji Number: J1.799.188D
• Wikidata: Q72463819
• Mol file: 56990-02-4.mol

Synonyms:3,5-Dibromobenzaldehyde;56990-02-4;3,5-Dibromo-benzaldehyde;Benzaldehyde, 3,5-dibromo-;MFCD00156887;SCHEMBL708554;3,5-bis(bromanyl)benzaldehyde;(3,5-dibromo-phenyl)-methanone;DTXSID80347485;BCP21760;TD1151;AKOS005215820;AB04160;CS-W001128;PS-7344;SY014041;AM20040736;D2832;FT-0614507;FT-0651963;EN300-179248;A831271;J-511268;Z1269139271

Chemical Property of 3,5-Dibromobenzaldehyde

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 84-88 °C(lit.)
• Boiling Point: 287.221 °C at 760 mmHg
• Flash Point: 113.496 °C
• PSA: 17.07000
• Density: 1.977 g/cm³
• LogP: 3.02410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Water Solubility.: insoluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.86084
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

98% ^*data from raw suppliers

3,5-Dibromobenzaldehyde >97.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)C=O
• Description: 3,5-Dibromobenzaldehyde is a white or beige solid with a melting point of 84-88 °C. Its boiling point and density are estimated to be 287.2±20.0 °C and 1.977±0.06 g/cm3, respectively. It is insoluble in water.
• Uses: 3,5-Dibromobenzaldehyde is a dibrominated benzaldehyde that is a very useful building block for the preparation of a wide range of biologically active compounds such as a antibacterials

Technology Process of 3,5-Dibromobenzaldehyde

There total 19 articles about 3,5-Dibromobenzaldehyde 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: 95.0%

1,3,5-trisbromobenzene (626-39-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,5-dibromobenzaldehyde (56990-02-4)

Guidance literature:

1,3,5-trisbromobenzene; With magnesium; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere; Large scale;

With methylmagnesium chloride; In tetrahydrofuran; for 3.5h; Reflux; Inert atmosphere; Large scale;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 10 ℃; for 2h; Temperature; Reagent/catalyst; Inert atmosphere; Large scale;

Reference yield: 92.0%

3,5-dibromobenzyl bromide (56908-88-4) → 3,5-dibromobenzaldehyde (56990-02-4)

Guidance literature:

With 4-methylmorpholine N-oxide; In tetrahydrofuran; for 12h; Reflux;

Reference yield: 86.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3,5-dibromophenyllithium → 3,5-dibromobenzaldehyde (56990-02-4)

Guidance literature:

In diethyl ether; at -78 ℃; for 1h;

DOI:10.1016/S0022-328X(00)92605-6

upstream raw materials:

3,5-dibromotoluene

4-amino-3,5-dibromo-benzaldehyde

acetic anhydride

1,3,5-trisbromobenzene

Downstream raw materials:

3,5-dibromo-2-nitro-benzaldehyde

3,5-dibromo-4-nitro-benzaldehyde

3,5‐bis((trimethylsilyl)ethynyl)benzaldehyde

C₁₅H₉Br₂NO₄