4-Nitro-1-naphthylamine - ≥97% , CAS No.776-34-1

CAS: 776-34-1 Cat. No.: N122965 分子式: C₁₀H₈N₂O₂ 分子量: 188.18 Beilstein Registry Number: 2211897 EC番号: 212-277-7

グレード＆純度 ≥97%

Synonyms

BCP04287 | AI3-62662 | FT-0607331 | 1-Naphthalenamine, 4-nitro- | BDBM50425019 | STR04258 | STK803079 | 4-Nitro-1-naphthamine | EN300-99795 | 4-Nitro-alpha-naphthylamine | 4-Nitro-1-naphthylamine, 97% | 1,4-Nitronaphthylamine | 4-Nitro-1-naphthalenamine |

Storage

Room temperature

Shipped In

Normal

仕様

同義語

BCP04287 | AI3-62662 | FT-0607331 | 1-Naphthalenamine, 4-nitro- | BDBM50425019 | STR04258 | STK803079 | 4-Nitro-1-naphthamine | EN300-99795 | 4-Nitro-alpha-naphthylamine | 4-Nitro-1-naphthylamine, 97% | 1,4-Nitronaphthylamine | 4-Nitro-1-naphthalenamine |

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488181782

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181782

カノニカル・スマイル

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N

IUPAC Name

4-nitronaphthalen-1-amine

InChIKey

BVPJPRYNQHAOPQ-UHFFFAOYSA-N

INCHI

1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2

異性体SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N

WGKドイツ

3

RTECS

QM4370000

分子量

188.18

Beilstein

2211897

Reaxy-Rn

2211897

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211897&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Nitronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Nitronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitronaphthalenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-nitronaphthalene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 192.0 to 196.0 °C
• 分子量: 188.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 188.059 Da
• Monoisotopic Mass: 188.059 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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

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 at room temperature.

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 776-34-1, the molecular formula is C10H8N2O2, and the molecular weight is 188.18 g/mol. InChIKey BVPJPRYNQHAOPQ-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.