3-Bromo-5-chlorobenzaldehyde

Base Information

• Chemical Name: 3-Bromo-5-chlorobenzaldehyde
• CAS No.: 188813-05-0
• Molecular Formula: C7H4BrClO
• Molecular Weight: 219.465
• Hs Code.: 2913000090
• European Community (EC) Number: 633-770-7
• DSSTox Substance ID: DTXSID40590798
• Wikidata: Q72452366
• Mol file: 188813-05-0.mol

Synonyms:3-Bromo-5-chlorobenzaldehyde;188813-05-0;3-Bromo-5-Chloro-Benzaldehyde;Benzaldehyde, 3-bromo-5-chloro-;5-Chloro-3-bromobenzaldehyde;MFCD06797226;5-bromo-3-chlorobenzaldehyde;SCHEMBL237896;DTXSID40590798;JGMGDYUVFBBCEQ-UHFFFAOYSA-N;3-bromanyl-5-chloranyl-benzaldehyde;3-Bromo-5-chlorobenzaldehyde, 97%;BBL101639;CL8305;STL555435;AKOS005259821;AB29574;AM83081;CS-W008214;GS-3679;SY051388;DB-044684;B4839;EN300-111686;A813270;W-201686;Z1269145301

Chemical Property of 3-Bromo-5-chlorobenzaldehyde

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 68-73 °C
• Refractive Index: 1.623
• Boiling Point: 264.044 °C at 760 mmHg
• Flash Point: 113.49 °C
• PSA: 17.07000
• Density: 1.698 g/cm³
• LogP: 2.91500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.91341
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-chlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 36/37/38-51/53-22
• Safety Statements: 26-36/37/39-61-53

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Br)C=O

Technology Process of 3-Bromo-5-chlorobenzaldehyde

There total 2 articles about 3-Bromo-5-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: 67.0%

1,3-dibromo-5-chlorobenzene (14862-52-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-chloro-benzaldehyde (188813-05-0)

Guidance literature:

1,3-dibromo-5-chlorobenzene; With n-butyllithium; In hexane; di-isopropyl ether; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In hexane; di-isopropyl ether; at -78 ℃; Inert atmosphere;

Reference yield:

→ 3-bromo-5-chloro-benzaldehyde (188813-05-0) + (+-) β-[[2-[[[3-[(aminoiminomethyl)amino]phenyl]carbonyl]amino]acetyl]amino]-3-bromo-5-chlorobenzenepropanoic acid, trifluoroacetate salt

Guidance literature:

Reference yield: 93.0%

3-bromo-5-chloro-benzaldehyde (188813-05-0) + aniline (62-53-3) → C13H9BrClN

Guidance literature:

In toluene; at 111 ℃; for 18h; Inert atmosphere;

upstream raw materials:

1,3-dibromo-5-chlorobenzene

N,N-dimethyl-formamide

Downstream raw materials:

ClBrC₆H₃CH(NH₂)CH₂COOC₂H₅

N-[(3-bromo-5-chlorophenyl)methyl]cyclopropanamine

2-(3-bromo-5-chloro-phenyl)-4-hydroxy-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

2-(3-bromo-5-chloro-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester