2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Basic Information

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CAS Number

214360-47-1

Molecular Formula

C12H14BNO2

Molecular Weight

204.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

368.1°C at 760 mmHg

SMILES

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B1(OCC(CO1)(C)C)C2=CC=CC=C2C#N

InChI

InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3

InChIKey

QHAYLPAKZXKQSE-UHFFFAOYSA-N

LogP

1.7632200000000002

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

287

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SY101552
SCHEMBL4491246
2-CYANOPHENYLBORONIC ACID NEOPENTYLGLYCOL ESTER
H10175
214360-47-1
AC-33892
AKOS004116361
C12H14BNO2
CS-W000900
2-Cyanophenylboronic acid, neopentyl ester, AldrichCPR
AM62756
FT-0653474
2-Cyanophenylboronic acid, neopentyl ester
MFCD04039011
Benzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
SS-4616
QHAYLPAKZXKQSE-UHFFFAOYSA-N
2-(2-cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
1-(3-methoxyphenethyl)hydrazinehydrochloride
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
DTXSID80944019
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
2-Cyanophenylboronic acid 2,2-dimethylpropanediol-1,3-cyclic ester
(2-CYANOPHENYL)BORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER
2-Cyanophenylboronic Acid Neopentyl Ester
2-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-benzonitrile
ZXBA000323
BM390
SBB068308
OR7187
EBD876139

MDL Number

MFCD04039011

Customs Code

2934999090

FAQ

What is 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile (CAS: 214360-47-1)?

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile is a chemical compound with the CAS number 214360-47-1. It is an organoboron compound with potential applications in organic synthesis and pharmaceuticals. Its molecular structure includes a benzonitrile group and a 5,5-dimethyl-1,3,2-dioxaborine moiety.

What are the main uses of 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile (CAS: 214360-47-1)?

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile is primarily used in the synthesis of various organic compounds, particularly in the development of pharmaceuticals and agrochemicals. It serves as a boron-containing building block in cross-coupling reactions, contributing to the formation of carbon-carbon bonds.

Is 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile (CAS: 214360-47-1) safe?

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile is generally considered safe for laboratory use when proper handling procedures are followed. Users should handle this compound with care, wearing appropriate personal protective equipment such as gloves and goggles. It is important to avoid skin contact and inhalation of the compound.

How should 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile (CAS: 214360-47-1) be stored?

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a well-ventilated area and store it in a tightly sealed container to prevent moisture absorption and degradation. The storage temperature should be below room temperature to ensure its stability.