1-Chloronaphthalene - ≥96% , CAS No.90-13-1

CAS: 90-13-1 Cat. No.: C104850 Fórmula: C₁₀H₇Cl Peso molecular: 162.62 Beilstein Registry Number: 970836 Número CE: 201-967-3

GRADE & PURITY ≥96%

Synonyms

BASILEUM | 1-Naphthyl chloride | 1-Chlornaftalen [Czech] | AI3-00035 | alpha-Chloronaphthalene | 1-Chloronaphthalene 10 microg/mL in Isooctane | D89503 | 1-CHLORONAPHTHALENE | 1-Chloro-naphthalene | DTXSID2024791 | 1-Naphthalenyl chloride | .alpha.-Chloro

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

1-Chloronaphthalene (CN) improves the power conversion efficiency of bulk heterojunction solar cells. It forms 2:2 inclusion complex with β-cyclodextrin (β-CD), which is generated by the self-association of 1:1 β-CD-1CN inclusion complexes
1-Chloronaphthalene was used as solvent additive in the fabrication of fullerene based photovoltaic devices. It was also used in preparation of PVC based membranes of 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinatocobalt(II) for arsenite determination.

Specifications

Sinónimos

BASILEUM | 1-Naphthyl chloride | 1-Chlornaftalen [Czech] | AI3-00035 | alpha-Chloronaphthalene | 1-Chloronaphthalene 10 microg/mL in Isooctane | D89503 | 1-CHLORONAPHTHALENE | 1-Chloro-naphthalene | DTXSID2024791 | 1-Naphthalenyl chloride | .alpha.-Chloro

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

488180237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180237

Sorrisos canónicos

C1=CC=C2C(=C1)C=CC=C2Cl

IUPAC Name

1-chloronaphthalene

InChIKey

JTPNRXUCIXHOKM-UHFFFAOYSA-N

INCHI

1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

SMILES isoméricas

C1=CC=C2C(=C1)C=CC=C2Cl

WGK Alemanha

3

RTECS

QJ2100000

Número UN

3082(international)

Grupo de embalagem

III

Peso molecular

162.62

Beilstein

970836

Reaxy-Rn

970836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Chloronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Chloronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloronaphthalenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chloronaphthalene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
• 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.63321
• Ponto de inflamação (°F): 249.8 °F
• Ponto de inflamação (°C): 121℃
• Ponto de ebulição (°C): 259.3°C
• Ponto de fusão (°C): -20 °C
• Peso molecular: 162.610 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.024 Da
• Monoisotopic Mass: 162.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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