(2,6-Dimethylphenyl)boronic acid

Basic Information

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CAS Number

100379-00-8

Molecular Formula

C8H11BO2

Molecular Weight

149.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

105 °C (dec.)

Boiling Point

299.9℃ at 760 mmHg

Flash Point

135.2℃

Solubility

Soluble in methanol.

SMILES

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B(C1=C(C=CC=C1C)C)(O)O

InChI

InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3

InChIKey

ZXDTWWZIHJEZOG-UHFFFAOYSA-N

LogP

-0.016759999999999997

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

117

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

2,6-XYLENEBORONIC ACID
2,6-dimethylbenzene boronic acid
2,6-dimethylphenyl boronic acid
EN300-92955
(2,6-dimethylphenyl)boronicacid
(2,6-Dimethlphenyl)borate
AB07956
CS-W002725
D3633
CHEMBL3236888
(2,6-dimethylphenyl)boronic acid
AKOS BRN-0223
100379-00-8
SCHEMBL61913
2,6-dimethyl phenylboronic acid
2,6-Dimethylphenylboronic acid, >=95.0%
2,6-Dimethylphenylboronic acid
BCP22768
SY015041
BCP9000266
2,6-Dimethylphenylboronic acid #
FT-0642422
2,6-dimethlphenylboronic acid
AC-24790
HY-W002725
DTXSID60342610
2,6-dimethyphenylboronic acid
Boronic acid, B-(2,6-dimethylphenyl)-
2,6-Dimethyl-phenylboronic Acid
AKOS000278423
Z336079988

MDL Number

MFCD01009693

Customs Code

2931900090

FAQ

What regulatory guidelines apply to (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8)?

The regulatory guidelines for (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8) include the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazard communication, REACH regulations in the European Union, and FDA/EPA requirements for substance safety and environmental release. These guidelines ensure proper labeling, handling, and disposal in various industries.

Are there alternatives to (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8) in synthesis?

There are alternative boronic acids that can be used in synthesis as substitutes for (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8), such as 4-methylphenylboronic acid and 2-methylphenylboronic acid. These alternatives offer similar reactivity and can be chosen based on specific synthesis needs and availability.

What is the market or research trend for (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8)?

The market for (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8) is driven by its applications in organic synthesis, particularly in Suzuki coupling reactions. Research trends focus on its use in sustainable and environmentally friendly chemical processes, as well as in developing new synthetic routes for various organic compounds.

How should waste containing (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8) be handled?

Waste containing (2,6-Dimethylphenyl)boronic acid (CAS: 100379-00-8) should be collected in compatible containers and disposed of through professional waste disposal services. Incineration is a common method, provided it is conducted under controlled conditions to minimize environmental impact. Environmental protection precautions include ensuring proper ventilation and personal protective equipment to prevent exposure during handling and disposal.