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

Basic Information

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CAS Number

885618-33-7

Molecular Formula

C13H17BN2O2

Molecular Weight

244.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

139-142℃

Boiling Point

404.1°C at 760 mmHg

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=CC=C2

InChI

InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16)

InChIKey

YRPXZCWDXBNPBD-UHFFFAOYSA-N

LogP

1.8620999999999999

Topological Polar Surface Area

47.14 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

319

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
1H-Indazole-4-boronic acid pinacol ester
1H-Indazol-4-ylboronic Acid Pinacol Ester
1H-Indazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Indazole-4-boronic acid pinacol ester
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
1H-INDAZOLE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
PubChem22325
KSC498E8L
YRPXZCWDXBNPBD-UHFFFAOYSA-N
ZX-R
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (ACI)
1H-Indazol-4-ylboronic acid pinacol ester
1h-indazol-4-boronic acid pinacol ester
(1H-INDAZOL-4-YL)BORONIC ACID PINACOL ESTER
DTXCID30620977
J-513439
4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLE
4-Indazoleboronic acid pinacol ester
SY004139
SCHEMBL189955
STL554553
INDAZOLE-4-BORONIC ACID PINACOL ESTER
AKOS005255617
4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-1H-indazole
BCP27172
BCP9000141
DS-12000
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

MDL Number

MFCD08059267

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7)?

Regulatory guidelines for 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) include the GHS classification for hazardous substances, REACH regulations for the European Union, and FDA/EPA requirements for safety and environmental impact assessments. This compound is generally considered non-irritating and non-toxic, but specific safety data sheets (SDS) and local regulations should be consulted for detailed handling and disposal guidelines.

Are there alternatives to 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) in synthesis?

Alternatives to 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) in synthesis include various other boronic acids, esters, and other functional groups. Common alternatives include 2-(tert-Butyldimethylsilyl)-ethanol and 2,2,2-Trifluoroethyl boronic acid. These alternatives can offer similar reactivity in certain reactions, but their choice depends on the specific reaction conditions and desired product properties.

What is the market or research trend for 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7)?

The market and research trends for 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) are focused on its use in medicinal chemistry and materials science. This compound is gaining interest for its potential in drug synthesis, particularly in the development of boron-containing drugs. Research is also exploring its applications in electronics and optoelectronics due to its unique electronic properties. Price trends are influenced by demand from these sectors, with increasing interest leading to potential market growth.

How should waste containing 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) be handled?

Waste containing 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS: 885618-33-7) should be collected in appropriate containers and stored in a cool, dry place away from ignition sources. The waste should be neutralized if necessary, and then disposed of through a professional hazardous waste disposal service. Environmental precautions include proper labeling and documentation of the waste, and adherence to local and national environmental regulations. Safe disposal methods may include incineration or chemical treatment, depending on the specific waste characteristics and local regulations.