Isophthalaldehyde - ≥98% , CAS No.626-19-7

CAS: 626-19-7 Cat. No.: I106945 Fórmula: C₈H₆O₂ Peso molecular: 134.13 Beilstein Registry Number: 1561038 Número EC: 210-935-8

GRADE & PURITY ≥98%

Synonyms

BCP24518 | LU162B2N9X | MFCD00003372 | Isophtaldehydes | 4-07-00-02139 (Beilstein Handbook Reference) | UNII-LU162B2N9X | EINECS 210-935-8 | DTXSID30870718 | BENZENEDICARBOXALDEHYDE | AT-051/40181211 | Benzene-1,3-dicarboxaldehyde | Isophthaldialdehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Isophthalaldehyde participates in base-catalyzed Knoevenagel condensation reaction.

Specifications

Sinónimos

BCP24518 | LU162B2N9X | MFCD00003372 | Isophtaldehydes | 4-07-00-02139 (Beilstein Handbook Reference) | UNII-LU162B2N9X | EINECS 210-935-8 | DTXSID30870718 | BENZENEDICARBOXALDEHYDE | AT-051/40181211 | Benzene-1,3-dicarboxaldehyde | Isophthaldialdehyde

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753536
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753536
• Sonrisas canónicas: C1=CC(=CC(=C1)C=O)C=O
• IUPAC Name: benzene-1,3-dicarbaldehyde
• InChIKey: IZALUMVGBVKPJD-UHFFFAOYSA-N
• INCHI: 1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
• Isómeros SMILES: C1=CC(=CC(=C1)C=O)C=O
• WGK Alemania: 3
• RTECS: NT1981000
• Peso molecular: 134.13
• Beilstein: 1561038
• Reaxy-Rn: 1561038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Meloidogyne incognita (862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: insoluble in water,soluble in methanol.
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 136°C
• Punto de fusión (°C): 88-90°C
• Peso molecular: 134.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.037 Da
• Monoisotopic Mass: 134.037 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yutong Hou, Aiyuan Jia, Xueming Qin, Xinru Yang, Jiayin Xie, Xiaoyu Li, Yongsheng Zhao.  (2023)  New insights on the preparation of amine covalent organic polymer and its adsorption properties.  ENVIRONMENTAL POLLUTION,      [PMID:37839682] [10.1016/j.envpol.2023.122659]

2. Yijie Wang, Linbo Yu, Tingjie Lv, Jing Wang, Shengju Zhou, Xiaofeng Sun.  (2023)  Chiral carbonized polymer dots simultaneously achieving solid state luminescence and circularly polarized luminescence.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111685]

3. Qian Liu, Junjie Liu, Mengde Li, Tian Yu, Mingming Hu, Peiyu Jia, Ning Qi, Zhiquan Chen.  (2022)  Plasticization of a novel polysulfone based mixed matrix membrane with high-performance CO2 separation studied by positron annihilation.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.130108]

4. Jian Qu, Xin Zhang, Shuyan Zhang, Zhongjie Wang, Yejian Yu, Huajun Ding, Zhiyuan Tang, Xiangjun Heng, Ruiqi Wang, Su Jing.  (2021)  A facile co-crystallization approach to fabricate two-component carbon dot composites showing time-dependent evolutive room temperature phosphorescence colors.  Nanoscale Advances,  3  (17): (5053-5061).  [PMID:36132350] [10.1039/D1NA00362C]

5. Zhimei Wang, Di Zhang, Xilin Xiao, Changlin Su, Zhiyang Li, Jinhua Xue, Nan Hu, Pengcheng Peng, Lifu Liao, Hongqing Wang.  (2020)  A highly sensitive and selective sensor for trace uranyl (VI) ion based on a graphene-coated carbon paste electrode modified with ion imprinted polymer.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.104767]

6. Liang Xu, Tianyang Lei, Boyu Jing, Yu Zang, Fengjuan Miao, Toshiki Aoki, Masahiro Teraguchi, Takashi Kaneko.  (2018)  Synthesis of soluble oligsiloxane-end-capped hyperbranched polyazomethine and their application to CO2/N2 separation membranes.  DESIGNED MONOMERS AND POLYMERS,      [PMID:29867295] [10.1080/15685551.2018.1472720]

7. Min Xue, Yanchao Lü, Qingqing Sun, Kaiqiang Liu, Zhen Liu, Ping Sun.  (2015)  Ag(I)-Coordinated Supramolecular Metallogels Based on Schiff Base Ligands: Structural Characterization and Reversible Thixotropic Property.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.5b00952]

8. Wenyu Wang, Shouhong Wang, Juan Xu, Huigui Yang, Yi Liu, Mengrui Li, Yunfei Zhi.  (2024)  Microblog-Assisted Synthesis of Schiff Base Network Polymers for SO2/Epoxide Copolymerization and Thermal Degradation Kinetics of the Products.  ChemistrySelect,  9  (41): (e202402919).  [PMID:] [10.1002/slct.202402919]