Glutaraldehyde - 50% in H2O , CAS No.111-30-8

CAS: 111-30-8 Cat. No.: G598815 分子式: OHC(CH₂)₃CHO 分子量: 100.12 Beilstein Registry Number: 605390 EC番号: 203-856-5

グレード＆純度 50% in H2O

Synonyms

glutaraldehyde|Pentanedial|Glutaral|111-30-8|Glutaric dialdehyde|1,5-Pentanedial|Cidex|Glutardialdehyde|Sonacide|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaraldehyd|Glutaralum|Aldesan|Alhydex|Glutarol|Hospex|Pentane-1,5-dial|Ucarcide|1,3-Diformylprop

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

仕様

同義語

glutaraldehyde | Pentanedial | Glutaral | 111-30-8 | Glutaric dialdehyde | 1,5-Pentanedial | Cidex | Glutardialdehyde | Sonacide | Glutaric acid dialdehyde | Glutaric aldehyde | Glutaraldehyd | Glutaralum | Aldesan | Alhydex | Glutarol | Hospex | Pentane-1,5-dial | Ucarcide | 1,3-Diformylprop

仕様と純度

50% in H2O

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528771871

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528771871

カノニカル・スマイル

C(CC=O)CC=O

IUPAC Name

pentanedial

InChIKey

SXRSQZLOMIGNAQ-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2

異性体SMILES

C(CC=O)CC=O

WGKドイツ

3

UN番号

2810

包装グループ

I

分子量

100.12

Beilstein

605390

Reaxy-Rn

605390

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• External Descriptors: a small molecule

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

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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MPO Tchem Myeloperoxidase (1002 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Lymphoblastoid cell (5959 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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関連ターゲット（非人間）

Mycolicibacterium smegmatis (8003 Activities)

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Mycobacteroides chelonae (540 Activities)

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Plasmodium falciparum (966862 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in hot water, ethanol, chloroform, glacial acetic acid and ether.
• 感度: Light sensitive，Air sensitive，Heat sensitive
• 屈折率: 1.42
• 融点（°C）: -21 °C (-6 °F)
• 分子量: 100.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.100
• 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