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Structure

2,6-Dimethylphenylboronic acid

CAS
100379-00-8
Catalog Number
ACM100379008
Category
Boronic Acids
Molecular Weight
149.98
Molecular Formula
C8H11BO2

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Specification

Synonyms
2,6-DIMETHYLPHENYLBORONIC ACID;2,6-DIMETHYLBENZENEBORONIC ACID;AKOS BRN-0223;RARECHEM AH PB 0195;2,6-Dimethylphenylboronic;2,6-Dimethylbenzeneboronic acid 97%;2,6-Dimethylphenylboronic Acid (contains varying amounts of Anhydride);m-Xylene-2-boronic Acid
IUPAC Name
(2,6-dimethylphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC=C1C)C)(O)O
InChI Key
ZXDTWWZIHJEZOG-UHFFFAOYSA-N
Boiling Point
299.9ºC at 760mmHg
Melting Point
105ºC
Flash Point
135.2ºC
Density
1.07g/cm³
Appearance
White crystalline powder
EC Number
600-084-4
Exact Mass
150.08500
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
2
Safety Description
S26-S37/39
WGK Germany
3
What is the molecular formula of 2,6-Dimethylphenylboronic acid?

The molecular formula of 2,6-Dimethylphenylboronic acid is C8H11BO2.

What is the molecular weight of 2,6-Dimethylphenylboronic acid?

The molecular weight of 2,6-Dimethylphenylboronic acid is 149.98 g/mol.

What is the IUPAC name of 2,6-Dimethylphenylboronic acid?

The IUPAC name of 2,6-Dimethylphenylboronic acid is (2,6-dimethylphenyl)boronic acid.

What is the InChI of 2,6-Dimethylphenylboronic acid?

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

What is the InChIKey of 2,6-Dimethylphenylboronic acid?

The InChIKey of 2,6-Dimethylphenylboronic acid is ZXDTWWZIHJEZOG-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Dimethylphenylboronic acid?

The canonical SMILES of 2,6-Dimethylphenylboronic acid is B(C1=C(C=CC=C1C)C)(O)O.

What is the CAS number of 2,6-Dimethylphenylboronic acid?

The CAS number of 2,6-Dimethylphenylboronic acid is 100379-00-8.

How many hydrogen bond donor counts does 2,6-Dimethylphenylboronic acid have?

2,6-Dimethylphenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,6-Dimethylphenylboronic acid have?

2,6-Dimethylphenylboronic acid has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,6-Dimethylphenylboronic acid?

The topological polar surface area of 2,6-Dimethylphenylboronic acid is 40.5Ų.

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