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1-Benzyl-3-(chloromethyl)-1H-indazole - ≥97%, high purity , CAS No.131427-22-0

COA

Grade & Purity:

≥97%

Cas Number: 131427-22-0
Molecular Weight: 256.73
MDL number: MFCD20134218
PubChem CID: 53260648
PubChem SID: 504771130

In stock

Item Number

D302364

Grouped product items
SKU	Size	Availability	Price
D302364-250mg	250mg	2	$275.90
D302364-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$824.90
D302364-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,610.90

Basic Description

Synonyms	1-Benzyl-3-(chloromethyl)-1H-indazole \| 131427-22-0 \| MFCD20134218 \| 1H-Indazole, 3-(chloromethyl)-1-(phenylmethyl)- \| SCHEMBL928072 \| 1-benzyl-3-chloromethylindazole \| DTXSID00693239 \| WUUJVTQUZJCUSE-UHFFFAOYSA-N \| 1-benzyl-3-(chloromethyl)indazole \| 1-benzyl-3-chlorometh
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organochloride - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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	504771130
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771130
IUPAC Name	1-benzyl-3-(chloromethyl)indazole
INCHI	InChI=1S/C15H13ClN2/c16-10-14-13-8-4-5-9-15(13)18(17-14)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey	WUUJVTQUZJCUSE-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)CCl
Isomeric SMILES	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)CCl
Molecular Weight	256.73
Reaxy-Rn	13195597
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13195597&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2103116	Certificate of Analysis	Jun 15, 2024	D302364
I2103305	Certificate of Analysis	Jun 15, 2024	D302364
I2103306	Certificate of Analysis	Jun 15, 2024	D302364

Chemical and Physical Properties

Molecular Weight	256.730 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	256.077 Da
Monoisotopic Mass	256.077 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	265.000
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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