2-Methoxynaphthalene - ≥98% , CAS No.93-04-9

CAS: 93-04-9 Cat. No.: M115324 Summenformel: C₁₀H₇OCH₃ Molekulargewicht: 158.2 Beilstein Registry Number: 1859408 EG-Nummer: 202-213-6

GRADE & PURITY ≥98%

Synonyms

AKOS008947868 | BDBM50159258 | 2-Methoxynaphthalene, 99% | AC-4741 | NAPROXEN IMPURITY M [EP IMPURITY] | Nerolin Yara Yara, >=99% | beta-Naphthol methyl ether | CHEBI:177835 | Methyl .beta.-naphthyl ether | SCHEMBL112792 | Jara jara | MFCD00004061 | .beta

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS008947868 | BDBM50159258 | 2-Methoxynaphthalene, 99% | AC-4741 | NAPROXEN IMPURITY M [EP IMPURITY] | Nerolin Yara Yara, >=99% | beta-Naphthol methyl ether | CHEBI:177835 | Methyl .beta.-naphthyl ether | SCHEMBL112792 | Jara jara | MFCD00004061 | .beta

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488180301
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180301
• Kanonisches Lächeln: COC1=CC2=CC=CC=C2C=C1
• IUPAC Name: 2-methoxynaphthalene
• InChIKey: LUZDYPLAQQGJEA-UHFFFAOYSA-N
• INCHI: 1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
• Isomere SMILES: COC1=CC2=CC=CC=C2C=C1
• WGK Deutschland: 2
• RTECS: QJ9468750
• Molekulargewicht: 158.2
• Beilstein: 1859408
• Reaxy-Rn: 1859408
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Zugehörige Ziele (menschlich)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Zugehörige Ziele (nicht menschlich)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 208.4 °F
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 274°C
• Schmelzpunkt (°C): 73-75°C
• Molekulargewicht: 158.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.073 Da
• Monoisotopic Mass: 158.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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

Referenzen

1. Jiali Song, Chao Li, Jiawei Qiao, Chunhui Liu, Yunhao Cai, Yun Li, Jiaxin Gao, Min Hun Jee, Xiaotao Hao, Han Young Woo, Zheng Tang, He Yan, Yanming Sun.  (2023)  Over 18% efficiency ternary all-polymer solar cells with high photocurrent and fill factor.  Matter,      [PMID:] [10.1016/j.matt.2023.03.001]

2. Yan-Jing Gu, Bing Yan.  (2013)  Europium (III) complex functionalized Si-MCM-41 hybrid materials with visible-light-excited luminescence.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2013.09.008]

3. Yan-Jing Gu, Bing Yan, Xiao-Fei Qiao.  (2012)  Novel light-conversion hybrids of SBA-16 functionalized with rare earth (Eu3+, Nd3+, Yb3+) complexes of modified 2-methyl-9-hydroxyphenalenone and 1,10-phenanthroline.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2012.11.012]

4. Yan-Jing Gu, Bing Yan.  (2012)  Lanthanide mesoporous SBA-15 hybrids through functionalized 6-hydroxybenz[de]anthracen-7-one linkage: UV–visible light sensitisation and visible-NIR luminescence.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:23146373] [10.1016/j.jcis.2012.10.021]

5. Hang Zhou, Yingjie Sun, Miao Zhang, Yuheng Ni, Fenghua Zhang, Sang Young Jeong, Tianhuan Huang, Xiong Li, Han Young Woo, Jian Zhang, Wai–Yeung Wong, Xiaoling Ma, Fujun Zhang.  (2024)  Over 18.2% efficiency of layer–by–layer all–polymer solar cells enabled by homoleptic iridium(III) carbene complex as solid additive.  Science Bulletin,      [PMID:39060213] [10.1016/j.scib.2024.07.027]