Isopropenylboronic Acid - CAS 14559-87-6

Name: Isopropenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB060604
Product Name:	Isopropenylboronic Acid
CAS:	14559-87-6
Synonyms:	Prop-1-en-2-ylboronic Acid; (1-Methylethenyl)boronic Acid; 2-Propenylboronic Acid; (1-Methylethenyl)boronic Acid; 1-Propene-2-boronic Acid; B-(1-Methylethenyl)boronic Acid

Technical Data

IUPAC Name:	prop-1-en-2-ylboronic acid
Description:	Isopropenylboronic Acid is a reagent used in various synthetic preparations.
Molecular Weight:	85.9
Molecular Formula:	C3H7BO2
Canonical SMILES:	B(C(=C)C)(O)O
InChI:	InChI=1S/C3H7BO2/c1-3(2)4(5)6/h5-6H,1H2,2H3
InChI Key:	WCONKKYQBKPMNZ-UHFFFAOYSA-N
Melting Point:	>62°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Light Beige Solid
Storage:	Amber Vial, -20°C Freezer, Under inert atmosphere
References:	Matteson, D.S., et al. J. Am. Soc., 82, 4228 (1960); Molander, G.A., et al. J. Am. Soc., 125, 11148 (2003).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	59.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.0539096
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	86.0539096
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0