1-Furfurylpyrrole - ≥98%(GC) , CAS No.1438-94-4

CAS: 1438-94-4 Cat. No.: F156718 Molecular Weight: 147.18 Beilstein Registry Number: 20(5)5,33 EC Number: 215-876-1

GRADE & PURITY ≥98%(GC)

Synonyms

1-Furfurylpyrrole, analytical standard | CHEBI:168927 | F0700 | DTXCID3027663 | InChI=1/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H | 1-(2-furanylmethyl)-1H-pyrrole (furfurylpyrrole) | SB60947 | SCHEMBL1532637 | W-108165 | N-(2-Furfuryl)pyrrole | 1-(2-Fu

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-Furfurylpyrrole, analytical standard | CHEBI:168927 | F0700 | DTXCID3027663 | InChI=1/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H, 8H | 1-(2-furanylmethyl)-1H-pyrrole (furfurylpyrrole) | SB60947 | SCHEMBL1532637 | W-108165 | N-(2-Furfuryl)pyrrole | 1-(2-Fu

Specifications & Purity

≥98%(GC)

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%(GC)

Names and Identifiers

• Pubchem Sid: 504752628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752628
• Canonical Smiles: C1=CN(C=C1)CC2=CC=CO2
• IUPAC Name: 1-(furan-2-ylmethyl)pyrrole
• InChIKey: BTBFUBUCCJKJOZ-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
• Isomeric SMILES: C1=CN(C=C1)CC2=CC=CO2
• RTECS: UX9631000
• Molecular Weight: 147.18
• Beilstein: 20(5)5,33
• Reaxy-Rn: 118476
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118476&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.531
• Flash Point(°F): 93°C
• Flash Point(°C): 93°C
• Boil Point(°C): 79°C
• Molecular Weight: 147.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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

References

1. Wei Cai, Zhaoxin Li, Jiajia Liu, Shuilai Qiu, Ying Pan, Zhoumei Xu, Chao Ma, Yuan Hu.  (2020)  Recyclable and removable functionalization based on Diels-Alder reaction of black phosphorous nanosheets and its dehydration carbonization in fire safety improvement of polymer composites.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2020.106157]

2. Huixian Li, Xiaomeng Sun, Datai Liu, Xinchang Liu, Xianchao Du, Shuai Li, Xiaojing Xing, Xinfeng Cheng, Dongqin Bi, Dongfang Qiu.  (2024)  Facile Synthesis of Novel Conducting Copolymers Based on N-Furfuryl Pyrrole and 3,4-Ethylenedioxythiophene with Enhanced Optoelectrochemical Performances Towards Electrochromic Application.  MOLECULES,  30  (1): (42).  [PMID:39795099] [10.3390/molecules30010042]

3. Yanru Qiu, Yudong Wang, Wenrou Su, Feifei Wang.  (2025)  Revealing the impact of processing technology on the aroma profile of Roasted coffee (Coffea Arabica) oil using Flavoromics strategy and chemometrics.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118913]

4. Shuge Yuan, Yahui Liu, Jinglin Yu, Ping Yang, Wei Yong, Zongxu Zhao, Tianyang Guo, Huanlu Song.  (2025)  Molecular sensory insights into odor activity and formation pathway of volatile compounds across roasting degrees in coffee beans.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107712]