5-Bromoisophthalaldehyde

Base Information

• Chemical Name: 5-Bromoisophthalaldehyde
• CAS No.: 120173-41-3
• Molecular Formula: C8H5BrO2
• Molecular Weight: 213.03
• Hs Code.: 2913000090
• European Community (EC) Number: 866-275-1
• DSSTox Substance ID: DTXSID20559626
• Nikkaji Number: J1.244.376E
• Wikidata: Q72451521
• Mol file: 120173-41-3.mol

Synonyms:5-Bromoisophthalaldehyde;120173-41-3;5-bromobenzene-1,3-dicarbaldehyde;5-BROMOISOPHTHALDEHYDE;1,3-BENZENEDICARBOXALDEHYDE, 5-BROMO-;MFCD08690086;5-BROMO-1,3-BENZENEDICARBALDEHYDE;SCHEMBL646947;YSZC1292;DTXSID20559626;QAQOLRCTTDVBAK-UHFFFAOYSA-N;CL9143;AKOS015834257;AB48323;AM83266;CS-W006569;AS-20030;SY114121;1,3-BENZENEDICARBOXALDEHYDE,5-BROMO;EN300-298932;A854552

Chemical Property of 5-Bromoisophthalaldehyde

Chemical Property:

• Vapor Pressure: 0.000741mmHg at 25°C
• Refractive Index: 1.657
• Boiling Point: 307.1 °C at 760 mmHg
• Flash Point: 126.6 °C
• PSA: 34.14000
• Density: 1.652 g/cm³
• LogP: 2.07410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.94729
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromoisophthalaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C=O)Br)C=O

Technology Process of 5-Bromoisophthalaldehyde

There total 12 articles about 5-Bromoisophthalaldehyde 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: 84.0%

1,3,5-trisbromobenzene (626-39-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromobenzene-1,3-dicarbaldehyde (120173-41-3)

Guidance literature:

With tert.-butyl lithium;

Reference yield: 82.0%

5-bromo-1,3-dihydroxymethylbenzene (51760-22-6) → 5-bromobenzene-1,3-dicarbaldehyde (120173-41-3)

Guidance literature:

With pyridinium chlorochromate; at 20 ℃;

DOI:10.1016/S0040-4039(99)02218-2

Reference yield: 76.0%

→ 5-bromobenzene-1,3-dicarbaldehyde (120173-41-3)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 70 ℃; for 16h;

upstream raw materials:

5-bromo-1,3-dihydroxymethylbenzene

1,3,5-trisbromobenzene

N,N-dimethyl-formamide

isophthalic acid

Downstream raw materials:

3,5-bis(hydroxyphenylmethyl)bromobenzene

m,m'-bisformylbenzene-4-ethynyl-benzaldehyde

1,3-Bis(1-oxyl-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)-5-ethynylbenzene

1,3-bis(1,3-dihydroxy-4,4,5,5-tetramethylimidazolin-2-yl)-5-ethynylbenzene

Refernces

• 1、 Feng, Fanda,Huang, Wei,Peng, Yuxin,Zhang, Lei. "Imine organic cages derived from tetraphenylethylene dialdehydes exhibiting aggregation-induced emission and explosives detection". . . Retrieved 2021/07/31.
• 2、 -. "AROMATIC RING-CONTAINING COMPOUND AND CANCER PREVENTIVE AND/OR THERAPEUTIC AGENT". Paragraph 0071. . Retrieved 2017/01/02.