Isophthalaldehyde

Short Description:

Chemical Name:Isophthalaldehyde
CAS No.:626-19-7
Molecular Formula:C8H6O2
Molecular Weight:134.134
Hs Code.:29122900
European Community (EC) Number:210-935-8
NSC Number:5092
UNII:LU162B2N9X
DSSTox Substance ID:DTXSID30870718
Nikkaji Number:J53.655E
Wikipedia:Isophthalaldehyde
Wikidata:Q27283179
ChEMBL ID:CHEMBL2289228
Mol file:626-19-7.mol

Product Detail

Product Tags

Synonyms:Isophthalaldehyde;626-19-7;m-Phthalaldehyde;1,3-Benzenedicarboxaldehyde;benzene-1,3-dicarbaldehyde;Isophthaldehyde;1,3-benzenedialdehyde;Isophthaldialdehyde;Isophtaldehydes;Benzene-1,3-dicarboxaldehyde;Isophtaldehydes [French];3-Phthalaldehyde;Isophthalic dicarboxaldehyde;MFCD00003372;NSC 5092;EINECS 210-935-8;BRN 1561038;UNII-LU162B2N9X;LU162B2N9X;NSC-5092;4-07-00-02139 (Beilstein Handbook Reference);isophtalaldehyde;iso-phthalaldehyde;3-formylbenzaldehyde;Isophthalaldehyde, 97%;Benzene 1,3 dicarbaldehyde;BENZENEDICARBOXALDEHYDE;SCHEMBL180566;CHEMBL2289228;HSDB 8459;DTXSID30870718;NSC5092;BCP24518;AKOS003628495;NCGC00188276-01;30025-33-3;AS-10887;BP-10519;LS-85181;SY007029;AM20061091;CS-0015077;FT-0627448;I0153;EN300-21269;AT-051/40181211;Isophthalaldehyde, Vetec(TM) reagent grade, 97%;J-521559;Q27283179

Chemical Property of Isophthalaldehyde

● Appearance/Colour:colourless or light yellow crystals
● Vapor Pressure:0.0164mmHg at 25°C
● Melting Point:87-88 °C(lit.)
● Refractive Index:1.622
● Boiling Point:255.3 °C at 760 mmHg
● Flash Point:94.1 °C
● PSA：34.14000
● Density:1.189 g/cm3
● LogP:1.31160

● Storage Temp.:Store below +30°C.
● Sensitive.:Air Sensitive
● Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
● Water Solubility.:Slightly soluble in water.
● XLogP3:1.2
● Hydrogen Bond Donor Count:0
● Hydrogen Bond Acceptor Count:2
● Rotatable Bond Count:2
● Exact Mass:134.036779430
● Heavy Atom Count:10
● Complexity:117

Safty Information

● Pictogram(s):
● Hazard Codes:
● Safety Statements:22-24/25

Useful

Canonical SMILES:C1=CC(=CC(=C1)C=O)C=O
Uses:Isophthalaldehyde is used in the synthesis of binuclear ruthenium complex. It participates in base-catalyzed Knoevenagel condensation reaction. Isophthalaldehyde is used in the synthesis of binuclear ruthenium complex.

Detailed Introduction

Isophthalaldehyde, also known as 1,3-benzene dicarboxaldehyde, is an organic compound with the chemical formula C8H6O2. It is a colorless to pale yellow liquid with a strong, sweet almond-like odor. Isophthalaldehyde is a structural isomer of terephthalaldehyde.
Synthesis: Isophthalaldehyde can be synthesized through the oxidation of m-xylene or p-xylene using various methods. Some common methods include air oxidation, nitric acid oxidation, or metal-catalyzed oxidation.

Application

Chemical Industry: Isophthalaldehyde serves as a versatile building block for the synthesis of various chemicals and compounds. It reacts with different reagents to produce derivatives such as amines, alcohols, or acids.
Pharmaceutical Industry: Isophthalaldehyde is used as a starting material in the synthesis of active pharmaceutical ingredients (APIs) or key intermediates in the production of drugs. It can be used in the development of antiviral, antibacterial, or antifungal agents.
Polymer Industry: Isophthalaldehyde finds application in the production of polymers such as polyesters, polyimides, polyurethanes, and resins. It can be used as a monomer or as a cross-linking agent. Polymers made from isophthalaldehyde exhibit enhanced thermal stability, mechanical strength, and chemical resistance.
Research and Development: Isophthalaldehyde is used in laboratory research for organic synthesis, particularly in the development of new compounds or materials. It can also be used in the preparation of ligands for coordination chemistry or as a catalyst in various chemical reactions.
Flavor and Fragrance Industry: Isophthalaldehyde has a distinct sweet almond-like odor, making it valuable as a fragrance component or flavoring agent in the cosmetic, perfumery, and food industries. It is commonly used in artificial almond flavors and fragrances.
It's important to note that the applications of isophthalaldehyde may vary depending on the specific requirements of different industries and further research. Always consult scientific literature, regulatory guidelines, and professionals before using or considering the application of isophthalaldehyde in a specific field.