1-Naftaldeído - ≥97% , CAS No.66-77-3

CAS: 66-77-3 Cat. No.: N111813 Fórmula: C₁₁H₈O Peso molecular: 156.18 Beilstein Registry Number: 386082 Número CE: 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

Carregado com árgon

Shipped In

Normal

Specifications

Sinónimos

.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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Carregado com árgon

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488180017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180017
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C2C(=C1)C=CC=C2C=O
• WGK Alemanha: 3
• RTECS: QJ0190000
• Número UN: 1988
• Peso molecular: 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
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

B16-F10 (4610 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol, ether, acetone, benzene. Insoluble in water.
• Sensibilidade: Air Sensitive
• Índice de refração: 1.65-1.654
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 160-161°C
• Ponto de fusão (°C): 291 °C
• Peso molecular: 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

Referências

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]