Basic Description

Synonyms	Benzo(b)furan \| Q410089 \| A818947 \| FT-0660665 \| Benzo[b]furan \| AT 33852 \| DTXCID20141 \| NCI-C56166 \| 1-Oxindene \| EINECS 205-982-6 \| NSC 1255 \| 5-17-02-00003 (Beilstein Handbook Reference) \| FT-0609496 \| WLN: T56 BOJ \| Cumaron \| Tox21_400054 \| NCGC00091
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzofurans
Alternative Parents	Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors	1-benzofurans - benzofuran
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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

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

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

Discover Target: THRB

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Associated Targets(non-human)

Hepatitis C virus (23859 Activities)

Explore this target

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

E Lysozyme (95 Activities)

Discover Target: E

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-benzofuran
INCHI	InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey	IANQTJSKSUMEQM-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CO2
Isomeric SMILES	C1=CC=C2C(=C1)C=CO2
WGK Germany	3
RTECS	DF6423800
UN Number	1993
Packing Group	I
Molecular Weight	118.13
Beilstein	107704
Reaxy-Rn	107704
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107704&ln=

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.

12 results found

Lot Number	Certificate Type	Date	Item
K2419516	Certificate of Analysis	Jun 19, 2024	B107470
G2315350	Certificate of Analysis	Jun 25, 2023	B107470
G2315369	Certificate of Analysis	Jun 25, 2023	B107470
G2315351	Certificate of Analysis	Jun 25, 2023	B107470
G2315357	Certificate of Analysis	Jun 25, 2023	B107470
C2330277	Certificate of Analysis	Mar 01, 2022	B107470
B2512043	Certificate of Analysis	Mar 01, 2022	B107470
C2219375	Certificate of Analysis	Mar 01, 2022	B107470
C2219368	Certificate of Analysis	Mar 01, 2022	B107470
C2219376	Certificate of Analysis	Mar 01, 2022	B107470
C2219373	Certificate of Analysis	Mar 01, 2022	B107470
C2219372	Certificate of Analysis	Mar 01, 2022	B107470

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Chemical and Physical Properties

Solubility	Not miscible in water.
Sensitivity	Light Sensitive,Air Sensitive
Refractive Index	1.57
Flash Point(°C)	56°C
Boil Point(°C)	175 °C
Molecular Weight	118.130 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	118.042 Da
Monoisotopic Mass	118.042 Da
Topological Polar Surface Area	13.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xinjing Li, Yishun Yao, Xue Xia, Foxin Zhang, Jingyang Yu, Heping Cui, Yunwei Niu, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2023) Maillard Reaction Process and Characteristic Volatile Compounds Formed During Secondary Thermal Degradation Monitored via the Change of Fluorescent Compounds in the Reaction of Xylose–Corn Protein Hydrolysate. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
2. Shanshuai Chen, Puxiang Yan, Xiaona Yu, Wanbin Zhu, Hongliang Wang. (2023) Conversion of lignin to high yields of aromatics over Ru–ZnO/SBA-15 bifunctional catalysts. RENEWABLE ENERGY, 215 (118919).
3. Pengxin Yu, Guangyu Sun, Lu Xiong, Boying Zheng, Teng Li, Jun Jiang, Yantao Wang, Weiran Yang. (2022) Biomass to drugs: Green production of salicylic acid from 2-furoic acid in two steps. Molecular Catalysis, 521 (112187).
4. Teng Li, Guangyu Sun, Lu Xiong, Boying Zheng, Yaqi Duan, Rui Yu, Jun Jiang, Yantao Wang, Weiran Yang. (2021) Transition-metal-free decarboxylation of D-glucaric acid to furan catalyzed by SnCl4 in a biphasic system. Molecular Catalysis, 516 (111958).
5. Xing Zhang, Jingfeng Wu, Tian Li, Chengzhi Zhang, Lingjun Zhu, Shurong Wang. (2022) Selective hydrodeoxygenation of lignin-derived phenolics to cycloalkanes over highly stable NiAl2O4 spinel-supported bifunctional catalysts. CHEMICAL ENGINEERING JOURNAL, 429 (132181).
6. Zhu Tianhan, Song Hua, Li Feng, Chen Yanguang. (2021) Preparation of NiCu Alloy Catalyst for the Hydrodeoxygenation of Benzofuran. CATALYSIS LETTERS, 151 (6): (1670-1682).
7. Wenjing Song, Weikun Lai, Yixin Lian, Xingmao Jiang, Weimin Yang. (2020) Sulfated ZrO2 supported CoMo sulfide catalyst by surface exsolution for enhanced hydrodeoxygenation of lignin-derived ethers to aromatics. FUEL, 263 (116705).
8. Bolong Jiang, Tianhan Zhu, Hua Song, Feng Li. (2019) Hydrodeoxygenation and hydrodesulfurization over Fe promoted Ni2P/SBA-15 catalyst. JOURNAL OF ALLOYS AND COMPOUNDS, 806 (254).
9. Mingguang Li, Jiangang Liu, Xinxiu Cao, Ke Zhou, Qiaoqiao Zhao, Xinhong Yu, Rubo Xing, Yanchun Han. (2014) Achieving balanced intermixed and pure crystalline phases in PDI-based non-fullerene organic solar cells via selective solvent additives. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (48): (26917-26928).
10. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao. (2015) Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test. FOOD CHEMISTRY, 167 (220).
11. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao. (2014) Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China. FOOD CHEMISTRY, 145 (126).

Solution Calculators

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SKU	Size	Availability	Price
B107470-5g	5g	2	$27.90
B107470-25g	25g	2	$82.90
B107470-100g	100g	2	$297.90
B107470-250g	250g	2	$669.90
B107470-500g	500g	1	$1,205.90

2,3-Benzofuran - 99%, high purity , CAS No.271-89-6