2-Allyl-5,5-dimethyl-1,3,2-dioxaborinane - CAS 911482-75-2

Catalog:	BB040059
Product Name:	2-Allyl-5,5-dimethyl-1,3,2-dioxaborinane
CAS:	911482-75-2
Synonyms:	5,5-dimethyl-2-prop-2-enyl-1,3,2-dioxaborinane; 5,5-dimethyl-2-prop-2-enyl-1,3,2-dioxaborinane

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5,5-dimethyl-2-prop-2-enyl-1,3,2-dioxaborinane
Description:	2-Allyl-5,5-dimethyl-1,3,2-dioxaborinane (CAS# 911482-75-2) is a useful research chemical.
Molecular Weight:	154.01
Molecular Formula:	C8H15O2B
Canonical SMILES:	B1(OCC(CO1)(C)C)CC=C
InChI:	InChI=1S/C8H15BO2/c1-4-5-9-10-6-8(2,3)7-11-9/h4H,1,5-7H2,2-3H3
InChI Key:	SBZNRMJWIVCYBF-UHFFFAOYSA-N
LogP:	1.73360

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.1165099
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.1165099
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0