5-Bromo-2-chlorobenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-chlorobenzaldehyde
• CAS No.: 189628-37-3
• Molecular Formula: C7H4BrClO
• Molecular Weight: 219.465
• Hs Code.: 2913000090
• European Community (EC) Number: 805-124-6
• DSSTox Substance ID: DTXSID90442450
• Nikkaji Number: J3.349.291J
• Wikidata: Q72452350
• Mol file: 189628-37-3.mol

Synonyms:5-bromo-2-chlorobenzaldehyde;189628-37-3;2-chloro-5-bromobenzaldehyde;5-bromo-2-chloro-benzaldehyde;BENZALDEHYDE, 5-BROMO-2-CHLORO-;MFCD08445659;5-bromanyl-2-chloranyl-benzaldehyde;SCHEMBL155042;DTXSID90442450;DPKKRQAEYWOISP-UHFFFAOYSA-N;BCP24595;SC5025;AKOS010077450;Benzaldehyde, 5-?bromo-?2-?chloro-;AC-5042;CS-W019803;PS-7885;5-Bromo-2-chlorobenzaldehyde, AldrichCPR;SY021850;AM20030237;B4756;FT-0649150;EN300-57017;A813337;J-516898;Z871801788

Chemical Property of 5-Bromo-2-chlorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 43-46℃
• Refractive Index: 1.623
• Boiling Point: 261.004 °C at 760 mmHg
• Flash Point: 111.652 °C
• PSA: 17.07000
• Density: 1.698 g/cm³
• LogP: 2.91500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• 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:

98% ^*data from raw suppliers

5-Bromo-2-chlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,E
• Hazard Codes: Xi,E

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C=O)Cl
• Uses: It finds its application as an intermediate in organic syntheses.

Technology Process of 5-Bromo-2-chlorobenzaldehyde

There total 7 articles about 5-Bromo-2-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: 98.0%

5-bromo-2-chlorobenzyl alcohol (149965-40-2) → 2-chloro-5-bromobenzaldehyde (189628-37-3)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 ℃; for 0.0833333h;

5-bromo-2-chlorobenzyl alcohol; In tetrahydrofuran; dichloromethane; at -60 ℃; for 0.25h;

With triethylamine; In tetrahydrofuran; dichloromethane; at -60 - 20 ℃;

Reference yield: 98.0%

2-chloro-benzaldehyde (89-98-5) → 2-chloro-5-bromobenzaldehyde (189628-37-3)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 5 ℃; for 10.5h; Large scale;

Reference yield: 95.0%

5-bromo-2-chloro-N-methoxy-N-methyl-benzamide (842136-59-8) → 2-chloro-5-bromobenzaldehyde (189628-37-3)

Guidance literature:

5-bromo-2-chloro-N-methoxy-N-methyl-benzamide; With lithium aluminium tetrahydride; In tetrahydrofuran; at -15 - -10 ℃; for 1h;

With water; ammonium chloride; In tetrahydrofuran;

upstream raw materials:

5-bromo-2-chloro-N-methoxy-N-methyl-benzamide

methyl 5-bromo-2-chloro-benzoate

5-bromo-2-chlorobenzoic acid

5-bromo-2-chlorobenzyl alcohol

Downstream raw materials:

1-benzothiophen-2-yl-(5-bromo-2-chlorophenyl)methanol

C₁₄H₁₀BrClN₂OS

C₁₄H₁₀BrClN₂OS

1-[5-(5-bromo-2-chlorobenzyl)thiophen-2-yl]-1H-pyrazole

Refernces

• 1、 -. "NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF". Page/Page column 60. . Retrieved 2018/03/06.
• 2、 -. "Dapagliflozin preparation method". Paragraph 0031; 0032; 0044; 0045. . Retrieved 2018/04/01.