trimethyl-1,3,5,2,4,6-trioxatriborinane

Basic Information

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CAS Number

823-96-1

Molecular Formula

C3H9B3O3

Molecular Weight

125.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

−38 °C

Boiling Point

78-80 °C

Density

0.89962 g/mL

Water Solubility

Not miscible in water.

Flash Point

-9 ºC

Refractive Index

n/D 1.3880

SMILES

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B1(OB(OB(O1)C)C)C

InChI

InChI=1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3

InChIKey

GBBSAMQTQCPOBF-UHFFFAOYSA-N

LogP

0.4037999999999998

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

69.3

Safety Information

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GHS Hazard Pictograms

H225

H314

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 3.1 Class 3.1

Sensitiveness

Moisture Sensitive & Hygroscopic

Synonyms & References

English

trimethyl-boroxine
C3H9B3O3
Trimethylboroxine (ca. 50% in Tetrahydrofuran)
trimethyboroxine
SCHEMBL28307
AS-47572
Q15829729
AKOS015840980
2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
Boroxin, trimethyl-
AMY14910
trimethyl boroxin
T3810
Trimethylboroxine 50% w/w soln. in THF
FT-0632990
InChI=1/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H
823-96-1
F14364
Carbamicacid,[(1R)-1-(hydroxymethyl)-2-propynyl]-,1,1-dimethylethylester
trimethylboroxaine
2,4,6-Trimethyl-1,3,5,2,4,6-trioxatriborinane; 2,4,6-Trimethylboroxine; Methaneboronic anhydride
2,4,6-trimethyl-cyclotriboroxane
Trimethylboroxin
2,4,6-Trimethylboroxin
Trimethylboroxine, 99%
Q-101084
trimethyl-1,3,5,2,4,6-trioxatriborinane
Trimethylboroxine
trimethyl boroxine
MFCD00013354
2,4,6-Trimethylboroxin #

MDL Number

MFCD00013354

Customs Code

2934999090

FAQ

What is trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1)?

Trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) is a cyclic boron oxide compound with the chemical formula C3H9B3O3. It features a boron ring structure with three oxygen atoms and three methyl groups, exhibiting unique stability and reactivity due to its boron-oxygen framework. This compound is known for its applications in organic synthesis and as a precursor in boron-containing chemical research.

What are the main uses of trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1)?

Trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) is primarily used in pharmaceuticals as a building block for drug development, in industrial processes for catalyst synthesis, and in research for creating boron-based materials. It also finds applications in organic chemistry for functional group transformations and in specialty chemical manufacturing due to its reactivity and structural versatility.

Is trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) safe?

Trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) requires careful handling due to potential chemical hazards. While specific toxicity data may vary, it is advisable to follow standard safety protocols, including wearing protective gloves and goggles, ensuring adequate ventilation, and avoiding skin or eye contact. Always consult safety data sheets (SDS) for detailed handling guidelines and regulatory compliance.

How should trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) be stored?

Trimethyl-1,3,5,2,4,6-trioxatriborinane (CAS: 823-96-1) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. Keep it in a sealed, airtight container made of inert material (e.g., glass or high-density polyethylene) to maintain stability. Avoid exposure to heat and incompatible substances to prevent degradation or hazardous reactions.