1,4-Dimethoxybenzene - ≥99% , CAS No.150-78-7

CAS: 150-78-7 Cat. No.: D104711 分子式: C₈H₁₀O₂ 分子量: 138.16 Beilstein Registry Number: 774605 EC番号: 205-771-9

GRADE & PURITY ≥99%

Synonyms

4-Methoxyanisole | A809075 | 1,4-Dimethoxybenzol; 4-Methoxyanisole; DMB;Hydroquinone Dimethyl Ether; Methyl 4-Methoxyphenyl Ether | USAF AN-9 | Hydroquinone, dimethyl ether | para-dimethoxybenzene | SMR001252207 | Anisole, p-methoxy- | Dimethylether hydro

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

4-Methoxyanisole | A809075 | 1,4-Dimethoxybenzol; 4-Methoxyanisole; DMB;Hydroquinone Dimethyl Ether; Methyl 4-Methoxyphenyl Ether | USAF AN-9 | Hydroquinone, dimethyl ether | para-dimethoxybenzene | SMR001252207 | Anisole, p-methoxy- | Dimethylether hydro

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488180923

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180923

カノニカル・スマイル

COC1=CC=C(C=C1)OC

IUPAC Name

1,4-dimethoxybenzene

InChIKey

OHBQPCCCRFSCAX-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

異性体SMILES

COC1=CC=C(C=C1)OC

WGKドイツ

1

RTECS

CZ6650000

分子量

138.16

Beilstein

774605

Reaxy-Rn

774605

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

関連ターゲット（人間）

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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

CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

Discover Target: CA14

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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関連ターゲット（非人間）

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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Trichoplusia ni (986 Activities)

Explore this target

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

Discover Target: Nfe2l2

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water(0.83g/L at 20°C) and methanol.
• 感度: light sensitive; air sensitive
• 引火点（°F）: 201°F
• 引火点（°C）: 94°C
• 沸点（°C）: 213°C
• 融点（°C）: 56°C
• 分子量: 138.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 73.300
• 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