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1-(2-Bromoethyl)-4-chloro-1H-pyrazole - 95%, high purity , CAS No.1011801-59-4

COA

Grade & Purity:

≥95%

Cas Number: 1011801-59-4
Molecular Weight: 209.47
MDL number: MFCD03727250
PubChem CID: 4711796

In stock

Item Number

B478545

Grouped product items
SKU	Size	Availability	Price
B478545-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
B478545-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90
B478545-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$606.90

Basic Description

Synonyms	MFCD03727250 \| AKOS010029707 \| BS-35540 \| 1H-Pyrazole, 1-(2-bromoethyl)-4-chloro- \| EN300-248201 \| 1-(2-Bromoethyl)-4-chloro-1H-pyrazole, AldrichCPR \| SCHEMBL1934943 \| FT-0743937 \| 1-(2-BROMOETHYL)-4-CHLORO-1H-PYRAZOLE \| DTXSID30405680 \| 1011801-59-4 \| AT
Specifications & Purity	≥95%

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride 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-(2-bromoethyl)-4-chloropyrazole
INCHI	InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
InChIKey	JWVGNGVIZSRTHN-UHFFFAOYSA-N
Smiles	C1=C(C=NN1CCBr)Cl
Isomeric SMILES	C1=C(C=NN1CCBr)Cl
WGK Germany	3
Molecular Weight	209.47
Reaxy-Rn	15785943
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15785943&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.470 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	207.94 Da
Monoisotopic Mass	207.94 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91.000
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

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