4-Pyrazoleboronic Acid - CAS 763120-58-7

Name: 4-Pyrazoleboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035552
Product Name:	4-Pyrazoleboronic Acid
CAS:	763120-58-7
Synonyms:	1H-pyrazol-4-ylboronic acid; 1H-pyrazol-4-ylboronic acid

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrazol-4-ylboronic acid
Description:	May contain varying amounts of anhydride.
Molecular Weight:	111.90
Molecular Formula:	C3H5N2O2B
Canonical SMILES:	B(C1=CNN=C1)(O)O
InChI:	InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-6-2-3/h1-2,7-8H,(H,5,6)
InChI Key:	KEZNMOUMHOZFRA-UHFFFAOYSA-N
Boiling Point:	430.353 °C at 760 mmHg
Melting Point:	146-151 °C
Purity:	≥ 95.0 %
Density:	1.41 g/cm³
Storage:	2-8 °C
MDL:	MFCD07368251
LogP:	-1.91050

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Related Functional Groups

Boronic Acids and Esters

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[1219956-23-6]C27H26BN3O2
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]C9H11O4B
2-Ethoxycarbonylphenylboronic Acid
[355836-10-1]C8H8F3O4B
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]C8H7O6B
3,5-Dicarboxyphenylboronic Acid
[1257724-90-5]C11H12NO5B
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

GHS Hazard Statement:	H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	79.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.0444076
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	112.0444076
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0