Skip to the beginning of the images gallery

3,4-Difluoro-1H-pyrrole - 98%, high purity , CAS No.120047-51-0

COA

Grade & Purity:

≥98%

Cas Number: 120047-51-0
Molecular Weight: 103.07
PubChem CID: 11804690
PubChem SID: 504766742

In stock

Item Number

D346738

Grouped product items
SKU	Size	Availability	Price
D346738-25mg	25mg	2	$59.90
D346738-100mg	100mg	1	$182.90
D346738-500mg	500mg	1	$702.90

a pyrrole building block for porphyrin synthesis

Basic Description

Synonyms	3,4-difluoro-1H-pyrrole \| P18993 \| AKOS006327949 \| 3,4-DIFLUOROPYRROLE \| AS-80130 \| EN300-1718772 \| 1H-PYRROLE, 3,4-DIFLUORO- \| AB51492 \| J-004249 \| MFCD09753705 \| SCHEMBL822046 \| DTXSID10472976 \| AMY14679 \| 3,4-difluor-1H-pyrrol \| SY061063 \| FT-0736663 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	3,4-Difluoro-1H-pyrrole is a pyrrole building block for porphyrin synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl fluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl fluorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl fluorides
Alternative Parents	Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Aryl fluoride - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl fluorides. These are organic compounds containing the acyl fluoride functional group.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504766742
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766742
IUPAC Name	3,4-difluoro-1H-pyrrole
INCHI	InChI=1S/C4H3F2N/c5-3-1-7-2-4(3)6/h1-2,7H
InChIKey	BMJOPWQYDZAFDZ-UHFFFAOYSA-N
Smiles	C1=C(C(=CN1)F)F
Isomeric SMILES	C1=C(C(=CN1)F)F
Molecular Weight	103.07
Reaxy-Rn	7018187
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7018187&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.

3 results found

Lot Number	Certificate Type	Date	Item
I2208897	Certificate of Analysis	Jun 16, 2025	D346738
I2208896	Certificate of Analysis	Jun 16, 2025	D346738
I2208891	Certificate of Analysis	Jun 16, 2025	D346738

Chemical and Physical Properties

Molecular Weight	103.070 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	103.023 Da
Monoisotopic Mass	103.023 Da
Topological Polar Surface Area	15.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	58.700
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration