2-Nitrofluorene - ≥98% , CAS No.607-57-8

CAS: 607-57-8 Cat. No.: N101954 Formule: C₁₃H₉NO₂ Poids moléculaire: 211.22 Beilstein Registry Number: 5628 Numéro CE: 210-138-5

QUALITÉ & PURETÉ ≥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

Normal

Spécifications

Synonymes

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 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752204

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

LL8225000

Poids moléculaire

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
    • Classe Fluorenes

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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Benzene,Acetone
• Sensibilité: light sensitive
• Point de fusion (°C): 156-158°C
• Poids moléculaire: 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

Foire aux questions

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.