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1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - 97%, high purity , CAS No.1000801-75-1

COA

Grade & Purity:

≥97%

Cas Number: 1000801-75-1
Molecular Weight: 248.13
PubChem CID: 53407213

In stock

Item Number

C189253

Grouped product items
SKU	Size	Availability	Price
C189253-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
C189253-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
C189253-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C189253-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90

Discover 1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole by Aladdin Scientific in 97% for only $31.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1000801-75-1 \| 1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole \| 1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester \| MFCD15474887 \| 1-(CYCLOPROPYLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE \| 1-(cycl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acid esters
Alternative Parents	Pyrazoles Heteroaromatic compounds Dioxaborolanes Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Azole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Heteroaromatic compound - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
INCHI	InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-7-15-16(9-11)8-10-5-6-10/h7,9-10H,5-6,8H2,1-4H3
InChIKey	LJUAHBJQFILHLS-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CC3
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CC3
Molecular Weight	248.13
Reaxy-Rn	15611791
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15611791&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	248.130 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.17 Da
Monoisotopic Mass	248.17 Da
Topological Polar Surface Area	36.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	315.000
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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