2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Basic Information

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CAS Number

214360-48-2

Molecular Formula

C13H16BNO2

Molecular Weight

218.11 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

Melting Point

85-90 °C

Boiling Point

357.1℃ at 760 mmHg

Flash Point

169.8℃

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N

InChI

InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3

InChIKey

SKQNWSBNAIOCOC-UHFFFAOYSA-N

LogP

2.29422

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

329

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SY023526
EN300-1706435
SKQNWSBNAIOCOC-UHFFFAOYSA-N
2-Cyanobenzeneboronic acid, pinacol ester
214360-48-2
BCP10609
AB17166
DTXSID40393746
MFCD04038747
2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Cyanophenylboronic acid pinacol ester, 97%
CS-W000901
2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile
AS-2723
FT-0647958
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2-Cyanophenylboronic acid, pinacol ester
(2-CYANOPHENYL)BORONIC ACID PINACOL ESTER
A815360
AKOS004115186
2-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile
2-CYANOBENZENEBORONIC ACID PINACOL ESTER
2-(4,4,5,5-tetramethyl[1,3,2]-dioxaborolan-2-yl)benzonitrile
C2621
2-Cyanophenylboronic acid pinacol ester
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2-Cyanophenylboronicacid,pinacolester
SCHEMBL520252
AM62757
J-509229
Benzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

MDL Number

MFCD04038747

Customs Code

2931900090

FAQ

What regulatory guidelines apply to 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 214360-48-2)?

The compound requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA guidelines for handling and disposal. Specific attention should be given to flammability, reactivity, and environmental hazards.

Are there alternatives to 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 214360-48-2) in synthesis?

Alternatives include other boronic acids and esters, such as pinacol borate and phenylboronic acid. These can be used as reagents in place of 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, depending on the specific reaction conditions and desired product.

What is the market or research trend for 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 214360-48-2)?

The compound is increasingly being used in asymmetric synthesis and organic transformations due to its boron-containing moiety. Research trends show growing interest in its use as a key intermediate in the development of novel pharmaceuticals and materials. Market demand is expected to rise with advancements in these fields.

How should waste containing 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 214360-48-2) be handled?

Waste containing the compound should be collected and disposed of according to local regulations. It can be incinerated or sent to a professional waste disposal facility. Environmental protection measures, such as minimizing spillage and proper containment, are crucial to prevent contamination and ensure safety.