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

CAS: 607-57-8 Cat. No.: N101954 Formula: C₁₃H₉NO₂ Peso molecolare: 211.22 Beilstein Registry Number: 5628 Numero EC: 210-138-5

GRADE & PURITY ≥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

Specifications

Sinonimi

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 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504752204
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752204
• Sorrisi canonici: 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
• Isomeri SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
• WGK Germania: 3
• RTECS: LL8225000
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Soluble in Benzene,Acetone
• Sensibilità: light sensitive
• Punto di fusione (°C): 156-158°C
• Peso molecolare: 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

Riferimenti

1. Jinqiu Li, Bin Zhao, Liying Guo, Zhuo Wang, Chun Wang, Zhi Wang, Shuaihua Zhang, Qiuhua Wu.  (2021)  Synthesis of hypercrosslinked polymers for efficient solid-phase microextraction of polycyclic aromatic hydrocarbons and their derivatives followed by gas chromatography-mass spectrometry determination.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34329956] [10.1016/j.chroma.2021.462428]

2. Shuchang Wu, Guodong Wen, Yang Su, Xiaoli Pan, Hua Yan, Jiangyong Diao, Hongyang Liu.  (2021)  Bottom-Up Approach Derived Iron and Nitrogen Cofunctionalized Carbon as Efficient Renewable Catalyst for Selective Reduction of Nitroarenes.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c00620]

3. Jianyong Li, Xiaojun Kong, Xiwang Li, Yajun Yang, Jiyu Zhang.  (2013)  Genotoxic evaluation of aspirin eugenol ester using the Ames test and the mouse bone marrow micronucleus assay.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:24140966] [10.1016/j.fct.2013.10.010]