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N-Boc-1H-pyrazole-4-boronic acid (contains varying amounts of Anhydride) - ≥95%, high purity , CAS No.947533-31-5

≥95%

CAS#: 947533-31-5
Molecular Weight: 212.01
MDL number: MFCD09951915
PubChem CID: 46739812
PubChem SID: 504770776

In stock

Item Number

N139481

Grouped product items
SKU	Size	Availability	Price
N139481-250mg	250mg	3	$15.90
N139481-1g	1g	2	$59.90
N139481-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$191.90

Basic Description

Synonyms	Y10752 \| [3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid \| 1-Boc-3,5-dimethyl-1H-pyrazol-4-boronic acid \| CS-W008509 \| MFCD12913948 \| BCP22860 \| AKOS025405031 \| DS-8962 \| QOJROSVHDGVEAI-UHFFFAOYSA-N \| (1-(tert-Butoxycarbonyl)-3
Specifications & Purity	≥95%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504770776
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770776
IUPAC Name	[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid
INCHI	InChI=1S/C10H17BN2O4/c1-6-8(11(15)16)7(2)13(12-6)9(14)17-10(3,4)5/h15-16H,1-5H3
InChi Key	QOJROSVHDGVEAI-UHFFFAOYSA-N
Canonical SMILES	B(C1=C(N(N=C1C)C(=O)OC(C)(C)C)C)(O)O
Isomeric SMILES	B(C1=C(N(N=C1C)C(=O)OC(C)(C)C)C)(O)O
WGK Germany	3
PubChem CID	46739812
Molecular Weight	212.01

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

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Lot Number	Certificate Type	Date	Item
H1701029	Certificate of Analysis	Feb 06, 2023	N139481

Chemical and Physical Properties

Melt Point(°C)	157-161°C
Molecular Weight	240.070 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	240.128 Da
Monoisotopic Mass	240.128 Da
Topological Polar Surface Area	84.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	293.000
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

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation
Precautionary Statements	P261: Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: wash with plenty of water. P321: Specific treatment (see ... on this label). P405: Store locked up. P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P271: Use only outdoors or in a well-ventilated area. P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233: Store in a well-ventilated place. Keep container tightly closed. P362+P364: Take off contaminated clothing and wash it before reuse. P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317: If eye irritation persists: Get medical help. P332+P317: If skin irritation occurs: Get medical help. P319: Get medical help if you feel unwell.
WGK Germany	3

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