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3-iodo-1,5-dimethyl-pyrazole - 97%, high purity , CAS No.1354706-38-9

COA

Grade & Purity:

≥97%

Cas Number: 1354706-38-9
Molecular Weight: 222.03
EC Number: 838-929-6
PubChem CID: 66509451

In stock

Item Number

I637583

Grouped product items
SKU	Size	Availability	Price	Qty
I637583-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$969.90

Basic Description

Synonyms	SY138446 \| HTGYBABURKWGBS-UHFFFAOYSA-N \| SCHEMBL13910099 \| 3-iodo-1,5-dimethylpyrazole \| PS-19961 \| E88472 \| EN300-101259 \| 3-iodo-1,5-dimethyl-pyrazole \| MFCD22369796 \| FT-0751749 \| STL415178 \| 1354706-38-9 \| 3-iodo-1,5-dimethyl-1{H}-pyrazole \| 3-iodo-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 Hydrocarbon derivatives
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 - 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	3-iodo-1,5-dimethylpyrazole
INCHI	InChI=1S/C5H7IN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3
InChIKey	HTGYBABURKWGBS-UHFFFAOYSA-N
Smiles	CC1=CC(=NN1C)I
Isomeric SMILES	CC1=CC(=NN1C)I
Alternate CAS	1354706-38-9
PubChem CID	66509451
Molecular Weight	222.03

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.030 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	221.965 Da
Monoisotopic Mass	221.965 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.500
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

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