Skip to the beginning of the images gallery

1-(difluoromethyl)-4-iodo-1H-pyrazole - 97%, high purity , CAS No.1041205-43-9

COA

Grade & Purity:

≥97%

Cas Number: 1041205-43-9
Molecular Weight: 243.98
EC Number: 867-340-7
MDL number: MFCD18633160
PubChem CID: 57930964

In stock

Item Number

I635422

Grouped product items
SKU	Size	Availability	Price
I635422-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
I635422-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
I635422-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90

Basic Description

Synonyms	O10321 \| SB12181 \| STL583943 \| AKOS013752388 \| DTXSID30728306 \| Z1227760576 \| SY111611 \| 4-Iodo-1-difluoromethylpyrazole \| BCP12513 \| SCHEMBL733169 \| A896280 \| MFCD18633160 \| 1041205-43-9 \| DS-4804 \| F2147-7895 \| 1-(Difluoromethyl)-4-iodo-1H-pyrazole \| 1-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl iodides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl iodides
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl iodide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organofluoride - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide 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

IUPAC Name	1-(difluoromethyl)-4-iodopyrazole
INCHI	InChI=1S/C4H3F2IN2/c5-4(6)9-2-3(7)1-8-9/h1-2,4H
InChIKey	VMZIHPOJBPKGDR-UHFFFAOYSA-N
Smiles	C1=C(C=NN1C(F)F)I
Isomeric SMILES	C1=C(C=NN1C(F)F)I
Alternate CAS	1041205-43-9
PubChem CID	57930964
Molecular Weight	243.98

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.980 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	243.931 Da
Monoisotopic Mass	243.931 Da
Topological Polar Surface Area	17.800 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

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