Isopropylboronic Acid - CAS 80041-89-0

Catalog:	BB036460
Product Name:	Isopropylboronic Acid
CAS:	80041-89-0
Synonyms:	propan-2-ylboronic acid; propan-2-ylboronic acid

Technical Data

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Computed Properties

IUPAC Name:	propan-2-ylboronic acid
Description:	Reactant or reagent involved in: Copper-promoted cross-coupling; Domino Heck-Suzuki reactions; C-H activation for arylations and alkylations; Suzuki-Miyaura type couple reactions; Alkylation-hydride reduction sequence.
Molecular Weight:	87.91
Molecular Formula:	C3H9O2B
Canonical SMILES:	B(C(C)C)(O)O
InChI:	InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3
InChI Key:	QIPHSSYCQCBJAX-UHFFFAOYSA-N
Boiling Point:	160.4 ℃ at 760 mmHg
Melting Point:	95-100 ℃ (lit.)
Flash Point:	Not applicable
Purity:	≥ 95 %
Density:	0.921 g/cm³
MDL:	MFCD01319021
LogP:	-0.13080

Publication Number	Title	Priority Date
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GHS Hazard Statement:	H315 (100%): 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

Complexity:	35.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.0695597
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	88.0695597
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0