Methoxyhydroquinone - ≥97%(GC) , CAS No.824-46-4

CAS: 824-46-4 Cat. No.: M136895 Peso molecular: 140.14 Número EC: 212-530-1

GRADE & PURITY ≥97%(GC)

Synonyms

Methoxyhydroquinone | METHOXYHYDROQUINONE, O- | CHEBI:176649 | M0539 | EINECS 212-530-1 | UNII-2HI6HNR5U1 | 1,4-Dihydroxy-2-methoxybenzene | SCHEMBL62784 | DTXSID00231716 | BDBM50297425 | InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H | 2-MOHYDROP |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Methoxyhydroquinone | METHOXYHYDROQUINONE, O- | CHEBI:176649 | M0539 | EINECS 212-530-1 | UNII-2HI6HNR5U1 | 1, 4-Dihydroxy-2-methoxybenzene | SCHEMBL62784 | DTXSID00231716 | BDBM50297425 | InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4, 8-9H, 1H | 2-MOHYDROP |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504754473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754473
• Sonrisas canónicas: COC1=C(C=CC(=C1)O)O
• IUPAC Name: 2-methoxybenzene-1,4-diol
• InChIKey: LAQYHRQFABOIFD-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)O)O
• Peso molecular: 140.14
• Reaxy-Rn: 2045285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045285&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Hydroquinones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Hydroquinone - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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 (humanos)

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

A-375 (9258 Activities)

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

SK-MEL-2 (46422 Activities)

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

A549 (127892 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water. Solubility in methanol is almost transparent.
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 180°C/24mmHg
• Punto de fusión (°C): 89 °C
• Peso molecular: 140.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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. Tiandu Dong, Zetian Zhang, Hao Liu, Yingjiao Deng, Weixia Liu, Yunxi Li, Yichen Liu, Mingzheng Zhou, Zihan Meng, Haolin Tang.  (2023)  Phosphorylated poly(ethylene-co-vinyl alcohol) doping for enhanced proton conductivity and mechanical properties of side chain–type sulfonated poly(aryl ether ketone) proton-exchange membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122298]

2. Ximin Chen, Long Jiang, Yaojie Liu, Lulu Zhang, Debin Yang, Xiaomeng Su, Zongjiang Yu, Mo Xian, Chao Xu.  (2023)  Theoretical calculation guided molecularly imprinted polymer for selective adsorption of phloroglucinol.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110229]

3. Zhe-Hui Zhang, Xianyuan Wu, Xiaohong Ren, Zeming Rong, Zhuohua Sun, Katalin Barta, Tong-Qi Yuan.  (2023)  High yield production of 1,4-cyclohexanediol from lignin derived 2,6-dimethoxybenzoquinone via Raney NiMn catalyst in hydrogen free conditions.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2023.04.023]

4. Bin Shen, Balakondareddy Sana, Hongting Pu.  (2020)  Multi-block poly(ether sulfone) for anion exchange membranes with long side chains densely terminated by piperidinium.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2020.118537]

5. Xiu Qin Wang, Chen Xiao Lin, Qiu Gen Zhang, Ai Mei Zhu, Qing Lin Liu.  (2017)  Anion exchange membranes from hydroxyl-bearing poly(ether sulfone)s with flexible spacers via ring-opening grafting for fuel cells.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2017.06.186]

6. Yue Yao, Hanqi Qian, Dan Qi, Jinrui Bai, Chao Liu.  (2024)  Novel insights into the correlation composition-structure-property of recyclable carbon fiber reinforced thermosetting resin composites.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.111023]