1H-Indazole-6-boronic acid

Basic Information

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CAS Number

885068-10-0

Molecular Formula

C7H7BN2O2

Molecular Weight

161.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

112-117 °C

Boiling Point

457.012 °C at 760 mmHg

Density

1.423

Flash Point

457.012 °C at 760 mmHg

Refractive Index

1.671

SMILES

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B(C1=CC2=C(C=C1)C=NN2)(O)O

InChI

InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)

InChIKey

ZKNLCHWRWRYPGG-UHFFFAOYSA-N

LogP

-0.7573000000000003

Topological Polar Surface Area

69.14 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

168

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

6-Indazolyboronic acid
1H-Indazole-6-boronic acid
1H-Indazol-6-yl-6-boronic acid
1H-Indazol-6-ylboronic acid
Indazole-6-boronic acid
(1H-indazol-6-yl)boronic acid
B-1H-Indazol-6-ylboronic acid (ACI)
Boronic acid, 1H-indazol-6-yl- (9CI)
(2H-Indazol-6-yl)boronic acid
1H-indazol-6-yl-6-boronicacid
PB14401
BP-21241
AKOS005256072
SCHEMBL2241556
Boronic acid, 1H-indazol-6-yl-
1H-indazol-6-ylboronic acid
NCGC00249501-01
DTXSID80646440
BCP23490
6-Indazolboronic acid
GS-6181
EN300-212655
(2H-indazol-6-yl)boronic acid
CS-0006095
1H-Indazole-6-boronic acid;6-Indazolyboronic acid
J-500188
ZKNLCHWRWRYPGG-UHFFFAOYSA-N
SY006379
885068-10-0
2173195-38-3
MFCD04972419

MDL Number

MFCD04972419

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1H-Indazole-6-boronic acid (CAS: 885068-10-0)?

1H-Indazole-6-boronic acid (CAS: 885068-10-0) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for handling, storage, and disposal. It is also subject to the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations. Additionally, the U.S. Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific guidelines for the safe use, storage, and disposal of this compound.

Are there alternatives to 1H-Indazole-6-boronic acid (CAS: 885068-10-0) in synthesis?

There are several alternatives to 1H-Indazole-6-boronic acid (CAS: 885068-10-0) that can be used in synthesis, including other boronic acids like 1H-Benzimidazol-2-ylboronic acid and triphenylboronic acid. Isomers such as 2H-Indazole-6-boronic acid can also be used depending on the specific reaction conditions and desired product.

What is the market or research trend for 1H-Indazole-6-boronic acid (CAS: 885068-10-0)?

The market for 1H-Indazole-6-boronic acid (CAS: 885068-10-0) is growing as it is an important intermediate in the synthesis of various bioactive compounds, particularly in the development of medicinal and agrochemical products. Research trends indicate a focus on its use in drug discovery and pesticide development, driven by its role in modulating biological pathways.

How should waste containing 1H-Indazole-6-boronic acid (CAS: 885068-10-0) be handled?

Waste containing 1H-Indazole-6-boronic acid (CAS: 885068-10-0) should be collected in appropriate containers and handled according to local regulations. It should be incinerated or disposed of through a professional hazardous waste service. Environmental protection measures must include proper containment to prevent leakage and ensure safe disposal to avoid contamination of soil and water resources.