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

CAS: 205-99-2 Cat. No.: B137900 Molecular Weight: 252.31 Beilstein Registry Number: 1872553 EC Number: 205-911-9
AVAILABLE TO ORDER
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
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25mg
B137900-25mg
3

$108.90

$133.90
Save $25.00 (18.67%)
100mg
B137900-100mg
3

$361.90

$446.90
Save $85.00 (19.02%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A polycyclic aromatic hydrocarbon.

Specifications

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
Specifications & Purity
≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
IUPAC Namepentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
InChIKeyFTOVXSOBNPWTSH-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
WGK Germany 3
UN Number 2811
Packing Group I
Molecular Weight 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenanthrenes and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenanthrenes and derivatives
Alternative Parents Naphthalenes  Aromatic hydrocarbons  Polycyclic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNF Tclin TNF-alpha (1897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP1 Tchem Caspase-1 (6235 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
G2209048Certificate of AnalysisApr 07, 2026 B137900
G2209049Certificate of AnalysisApr 07, 2026 B137900
J2215116Certificate of AnalysisJun 23, 2025 B137900
J2215117Certificate of AnalysisJun 23, 2025 B137900
J2215119Certificate of AnalysisJun 23, 2025 B137900
G2028004Certificate of AnalysisMay 08, 2024 B137900
Chemical and Physical Properties
Flash Point(°C)-18 °C
Boil Point(°C)481°C
Melt Point(°C)163-165°C
Molecular Weight252.300 g/mol
XLogP36.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass252.094 Da
Monoisotopic Mass252.094 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity372.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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2. Liu Li, Peng Maomin, Xu Ke, Xia Hong, Peng Xitian, Peng Lijun, Zhang Jin Z..  (2023)  Molecularly imprinted fluorescence assay based on lead halide perovskite quantum dots for determination of benzo(a)pyrene.  MICROCHIMICA ACTA,  190  (10): (1-11).  [PMID:37695413] [10.1007/s00604-023-05951-4]
3. Yuanji Gao, Hongru Feng, Bing Xia, Lei He, Congling Yang, Lijuan Zhao, Yuanjiang Pan.  (2023)  Ultrasensitive and Green Bubbling Extraction Strategies: An Extensible Solvent-Free Re-Enrichment Approach for Ultratrace Pollutants in Aqueous Samples.  ANALYTICAL CHEMISTRY,      [PMID:37624983] [10.1021/acs.analchem.3c02807]
4. Guanqing Jiang, Xu Song, Jiaying Xie, Tongxing Shi, Qiaoyuan Yang.  (2023)  Polycyclic aromatic hydrocarbons (PAHs) in ambient air of Guangzhou city: Exposure levels, health effects and cytotoxicity.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:37544068] [10.1016/j.ecoenv.2023.115308]
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8. Yu Tian, Zhigang Xu, Zhimin Liu, Xiaoxi Si, Fengmei Zhang, Wei Jiang.  (2022)  Fe3O4@SiO2@VAN Nanoadsorbent Followed by GC-MS for the Determination of Polycyclic Aromatic Hydrocarbons at Ultra-Trace Levels in Environmental Water Samples.  Nanomaterials,  12  (17): (2921).  [PMID:36079959] [10.3390/nano12172921]
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12. Yilin Zhang, Dongwei Liu, Zhangsuo Liu.  (2020)  The benzo[b]fluoranthene in the atmospheric fine particulate matter induces mouse glomerular podocytes injury via inhibition of autophagy.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:32193019] [10.1016/j.ecoenv.2020.110403]
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15. Zhou Xiu-Jie, Zhang Li-Shun, Song Wen-Fang, Huang Yan-Ping, Liu Zhao-Sheng.  (2018)  A polymer monolith incorporating stellate mesoporous silica nanospheres for use in capillary electrochromatography and solid phase microextraction of polycyclic aromatic hydrocarbons and organic small molecules.  MICROCHIMICA ACTA,  185  (9): (1-10).  [PMID:30178314] [10.1007/s00604-018-2964-6]
16. Qian Xiang, Guoqiang Shan, Wei Wu, Hangbiao Jin, Lingyan Zhu.  (2018)  Measuring log Kow coefficients of neutral species of perfluoroalkyl carboxylic acids using reversed-phase high-performance liquid chromatography.  ENVIRONMENTAL POLLUTION,      [PMID:30121482] [10.1016/j.envpol.2018.08.009]
17. Bin Qiao, Yansong Li, Pan Hu, Yu Sun, Zhaozhao Si, Shiying Lu, Honglin Ren, Zengshan Liu, Ying Zhang, Lei Meng, Yu Zhou.  (2018)  EuNPs-MAb fluorescent probe based immunochromatographic strip for rapid and sensitive detection of fluorene.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.01.231]
18. Yong Li, Ling Long, Jing Ge, Li-xuan Yang, Jin-jin Cheng, Ling-xiang Sun, Changying Lu, Xiang-yang Yu.  (2017)  Presence, distribution and risk assessment of polycyclic aromatic hydrocarbons in rice-wheat continuous cropping soils close to five industrial parks of Suzhou, China.  CHEMOSPHERE,      [PMID:28641227] [10.1016/j.chemosphere.2017.06.055]
19. Li-Shun Zhang, Qing-Li Zhao, Xin-Xin Li, Xi-Xi Li, Yan-Ping Huang, Zhao-Sheng Liu.  (2016)  Green synthesis of mesoporous molecular sieve incorporated monoliths using room temperature ionic liquid and deep eutectic solvents.  TALANTA,      [PMID:27769462] [10.1016/j.talanta.2016.09.030]
20. Li-Shun Zhang, Pei-Yao Du, Wen Gu, Qing-Li Zhao, Yan-Ping Huang, Zhao-Sheng Liu.  (2016)  Monolithic column incorporated with lanthanide metal-organic framework for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27432788] [10.1016/j.chroma.2016.07.015]
21. Cuicui Liu, Xiaoli Zhang, Limei Li, Jingcheng Cui, Yu-e Shi, Le Wang, Jinhua Zhan.  (2015)  Silver nanoparticle aggregates on metal fibers for solid phase microextraction–surface enhanced Raman spectroscopy detection of polycyclic aromatic hydrocarbons.  ANALYST,  140  (13): (4668-4675).  [PMID:25988666] [10.1039/C5AN00590F]
22. Zifang Peng, Yanhao Zhang, Yide Dong, Wuduo Zhao, Jian Mao, Qidong Zhang, Gangfeng Ouyang, Shusheng Zhang, Jianping Xie.  (2025)  A cheap 3D-printed boron, nitrogen, sulfur-MXene quantum dots-based target plate for multi-dimensional MALDI MS imaging of small-molecule environmental pollutants.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.160596]
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