이소프탈알데히드 - ≥98% , CAS No.626-19-7

CAS: 626-19-7 Cat. No.: I106945 분자식: C₈H₆O₂ 분자량: 134.13 Beilstein Registry Number: 1561038 EC 번호: 210-935-8

GRADE & PURITY ≥98%

Synonyms

BCP24518 | LU162B2N9X | MFCD00003372 | 이소프탈데히드 | 4-07-00-02139 (바일슈타인 핸드북 참조) | UNII-LU162B2N9X | EINECS 210-935-8 | DTXSID30870718 | 벤젠디카복스알데히드 | AT-051/40181211 | 벤젠-1,3-디카복스알데히드 | Isophthaldialdehyde

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

이소프탈알데히드는 염기 촉매 노에베나겔 응축 반응에 참여합니다.

Specifications

동의어

BCP24518 | LU162B2N9X | MFCD00003372 | 이소프탈데히드 | 4-07-00-02139 (바일슈타인 핸드북 참조) | UNII-LU162B2N9X | EINECS 210-935-8 | DTXSID30870718 | 벤젠디카복스알데히드 | AT-051/40181211 | 벤젠-1,3-디카복스알데히드 | Isophthaldialdehyde

사양 및 순도

≥98%

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504753536
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753536
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=CC(=C1)C=O)C=O
• WGK 독일: 3
• RTECS: NT1981000
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

Meloidogyne incognita (862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: insoluble in water,soluble in methanol.
• 감도: Air Sensitive
• 끓는점(°C): 136°C
• 녹는점(°C): 88-90°C
• 분자량: 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

참고 문헌

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]