2-ニトロフルオレン - ≥98% , CAS No.607-57-8

CAS: 607-57-8 Cat. No.: N101954 分子式: C₁₃H₉NO₂ 分子量: 211.22 Beilstein Registry Number: 5628 EC番号: 210-138-5

グレード＆純度 ≥98%

Synonyms

2-NITROFLUORENE [IARC] | 2-Nitrofluorene, 98% | CHEBI:1224 | EINECS 210-138-5 | NCGC00259314-01 | SY100634 | SB66914 | AKOS005615788 | MFCD00001117 | Tox21_302770 | 2-NITRO-9H-FLUORENE | HSDB 2111 | SCHEMBL644332 | CCRIS 1189 | 191LL4U4GZ | DTXCID60971 |

Storage

Protected from light,Room temperature

Shipped In

ノーマル

仕様

同義語

2-NITROFLUORENE [IARC] | 2-Nitrofluorene, 98% | CHEBI:1224 | EINECS 210-138-5 | NCGC00259314-01 | SY100634 | SB66914 | AKOS005615788 | MFCD00001117 | Tox21_302770 | 2-NITRO-9H-FLUORENE | HSDB 2111 | SCHEMBL644332 | CCRIS 1189 | 191LL4U4GZ | DTXCID60971 |

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

504752204

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752204

カノニカル・スマイル

C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]

IUPAC Name

2-nitro-9H-fluorene

InChIKey

XFOHWECQTFIEIX-UHFFFAOYSA-N

INCHI

1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2

異性体SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]

WGKドイツ

3

RTECS

LL8225000

分子量

211.22

Beilstein

5628

Reaxy-Rn

1877983

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: nitroarene

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）

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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）

Salmonella typhimurium (15756 Activities)

Explore this target

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

Rattus norvegicus (775804 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: Insoluble in water; Soluble in Benzene,Acetone
• 感度: light sensitive
• 融点（°C）: 156-158°C
• 分子量: 211.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.063 Da
• Monoisotopic Mass: 211.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 286.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 607-57-8, the molecular formula is C13H9NO2, and the molecular weight is 211.22 g/mol. InChIKey XFOHWECQTFIEIX-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.