1-Naphthaldehyde - ≥97% , CAS No.66-77-3

CAS: 66-77-3 Cat. No.: N111813 分子式: C₁₁H₈O 分子量: 156.18 Beilstein Registry Number: 386082 EC番号: 200-633-4

GRADE & PURITY ≥97%

Synonyms

.ALPHA.-NAPHTHOALDEHYDE | BRN 0386082 | naphthalene-1-aldehyde | Naphthaldehyde | EINECS 200-633-4 | naphthalene-1-carbaldehyde | I-Napthaldehyde | naphthalene-1 carbaldehyde | 1-Naphthoaldehyde | InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8 | 4-N

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

.ALPHA.-NAPHTHOALDEHYDE | BRN 0386082 | naphthalene-1-aldehyde | Naphthaldehyde | EINECS 200-633-4 | naphthalene-1-carbaldehyde | I-Napthaldehyde | naphthalene-1 carbaldehyde | 1-Naphthoaldehyde | InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8 | 4-N

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488180017
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180017
• カノニカル・スマイル: C1=CC=C2C(=C1)C=CC=C2C=O
• IUPAC Name: naphthalene-1-carbaldehyde
• InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N
• INCHI: 1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
• 異性体SMILES: C1=CC=C2C(=C1)C=CC=C2C=O
• WGKドイツ: 3
• RTECS: QJ0190000
• UN番号: 1988
• 分子量: 156.18
• Beilstein: 386082
• Reaxy-Rn: 386082
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386082&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• 説明: 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: an aryl aldehyde

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）

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

関連ターゲット（非人間）

B16-F10 (4610 Activities)

Explore this target

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 ethanol, ether, acetone, benzene. Insoluble in water.
• 感度: Air Sensitive
• 屈折率: 1.65-1.654
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 160-161°C
• 融点（°C）: 291 °C
• 分子量: 156.180 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.058 Da
• Monoisotopic Mass: 156.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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

参考文献

1. Yaran Cheng, Jing Chen, Tong Wang, Qin Wu, Daxin Shi, Yaoyuan Zhang, Kangcheng Chen, Hansheng Li.  (2022)  Magnetically-separable acid-resistant CoFe2O4@Polymer@MIL-100 core-shell catalysts for the acetalization of benzaldehyde and methanol.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36088702] [10.1016/j.jcis.2022.09.004]

2. Yaoyao Liu, Tingting Wang, Chuanbao Xie, Xiujuan Tian, Liang Song, Lei Liu, Zhongwei Wang, Qing Yu.  (2020)  Naphthyl-based acylphosphine oxide photoinitiators with high effiency and low migration.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2020.105603]

3. Yingchun Guo, Lei Feng, Changcheng Wu, Xiaomei Wang, Xu Zhang.  (2019)  Synthesis of 3D-Ordered Macro/Microporous Yolk–Shelled Nanoreactor with Spatially Separated Functionalities for Cascade Reaction.  ACS Applied Materials & Interfaces,      [PMID:31448587] [10.1021/acsami.9b11578]

4. Wenhai Lin, Wei Zhang, Tingting Sun, Shi Liu, Yu Zhu, Zhigang Xie.  (2017)  Rational Design of Polymeric Nanoparticles with Tailorable Biomedical Functions for Cancer Therapy.  ACS Applied Materials & Interfaces,      [PMID:28812347] [10.1021/acsami.7b10763]

5. Tianyun Li, Huahua Huang, Lei Wang, Yongming Chen.  (2017)  High performance polyimides with good solubility and optical transparency formed by the introduction of alkyl and naphthalene groups into diamine monomers.  RSC Advances,  7  (65): (40996-41003).  [PMID:] [10.1039/C7RA07142F]

6. Yufei Wu, Jie Hou, Yuliang Liu, Mingfu Zhang, Chen-Ho Tung, Yifeng Wang.  (2016)  Chemoselective Claisen–Schmidt bis-substitutional condensation catalyzed by an alkoxy-bridged dinuclear Ti(IV) cluster.  TETRAHEDRON,      [PMID:] [10.1016/j.tet.2016.01.055]

7. Yuanyuan Yue, Qiao Dong, Yajie Zhang, Xiaoge Li, Xuyang Yan, Yahui Sun, Jianming Liu.  (2015)  Synthesis of imidazole derivatives and the spectral characterization of the binding properties towards human serum albumin.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:26474241] [10.1016/j.saa.2015.09.023]

8. Shu-Xiao Wang, Jia-Xin Li, Shan-Yuan Zhong, Qing Liao, Mei-Jin Lin.  (2025)  Design and synthesis of low dielectric constant polyimides based on fluorinated diamines with twisted triphenylmethane units and bulky side chains.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.114252]

9. Guobin Lin, Yongyu Hou, Mengting Song, Wangchuan Xiao, Deshu Cheng, Juxiang Luo.  (2026)  A Naphthyl-Containing Alkoxyamine Initiator Enabling Controlled Methacrylate Polymerization Under Mild Conditions.  JOURNAL OF POLYMER SCIENCE,      [PMID:] [10.1002/pola.70252]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 66-77-3, the molecular formula is C11H8O, and the molecular weight is 156.18 g/mol. InChIKey SQAINHDHICKHLX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.