Benzo[b]fluoranthene - ≥98% , CAS No.205-99-2

CAS: 205-99-2 Cat. No.: B137900 Formula: C₂₀H₁₂ Peso molecolare: 252.31 Beilstein Registry Number: 1872553 Numero EC: 205-911-9

GRADE & PURITY ≥98%

Synonyms

NSC 89265 | 3,4-Benz(e)acephenanthrylene | 3,4-Benzofluoranthrene | benz[e]acephenanthrylen | BENZO(B)FLUORANTHENE [IARC] | CCRIS 72 | FTOVXSOBNPWTSH-UHFFFAOYSA-N | NCGC00090866-03 | DTXCID903907 | BRN 1872553 | DTXSID0023907 | 4,5-Benzofluoranthene | B(b

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

A polycyclic aromatic hydrocarbon.

Specifications

Sinonimi

NSC 89265 | 3,4-Benz(e)acephenanthrylene | 3,4-Benzofluoranthrene | benz[e]acephenanthrylen | BENZO(B)FLUORANTHENE [IARC] | CCRIS 72 | FTOVXSOBNPWTSH-UHFFFAOYSA-N | NCGC00090866-03 | DTXCID903907 | BRN 1872553 | DTXSID0023907 | 4,5-Benzofluoranthene | B(b

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528775266

Sorrisi canonici

C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1

IUPAC Name

pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

InChIKey

FTOVXSOBNPWTSH-UHFFFAOYSA-N

INCHI

1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H

Isomeri SMILES

C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1

WGK Germania

3

Numero UN

2811

Gruppo di imballaggio

I

Peso molecolare

252.31

Beilstein

1872553

Reaxy-Rn

1872553

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: ortho- and peri-fused polycyclic arene

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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

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TNF Tclin TNF-alpha (1897 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): -18 °C
• Punto di ebollizione (°C): 481°C
• Punto di fusione (°C): 163-165°C
• Peso molecolare: 252.300 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 252.094 Da
• Monoisotopic Mass: 252.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 372.000
• 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