2-BROMO-1,3,2-BENZODIOXABOROLE

Inquiry

Molecular Formula:

C6H4BBrO2

Molecular Weight:

198.81

CAS Number:

51901-85-0

Catalog Number:

51901-85-0

Product Information

Molecular Formula:

C6H4BBrO2

Molecular Weight:

198.81

Description

2-BROMO-1,3,2-BENZODIOXABOROLE is a vital compound heavily employed in the biomedicine industry. It plays a significant role in the development of novel drugs targeting various diseases such as cancer, diabetes, and infectious diseases. This versatile compound exhibits exceptional pharmacological properties, making it an essential tool in drug discovery and biomedical research.

Synonyms

B-BROMOCATECHOLBORANE; 2-BROMO-1,3,2-BENZODIOXABOROLE; beta-Bromocatecholborane; 2-bromo-1,3,2-benzodioxaborale; 1,3,2-Benzodioxaborole, 2-bromo-

IUPAC Name

2-bromo-1,3,2-benzodioxaborole

Canonical SMILES

B1(OC2=CC=CC=C2O1)Br

InChI

InChI=1S/C6H4BBrO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChI Key

SAILTPCYIYNOEL-UHFFFAOYSA-N

Boiling Point

76 °C/9 mmHg (lit.)

Melting Point

51-53 °C (lit.)

Flash Point

107.6 °F - closed cup

Purity

>95.0%(T)

Storage

2-8°C

Safety Information

Hazards

H228 - H314

Precautionary Statement

P210 - P280 - P305 + P351 + P338 - P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

197.94877 g/mol

Monoisotopic Mass

197.94877 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

119

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
TW-201946915-A	Method and intermediate for preparing therapeutic compound	2018-02-16
US-10696657-B2	Methods and intermediates for preparing therapeutic compounds	2018-02-16
US-2019300505-A1	Methods and intermediates for preparing therapeutic compounds	2018-02-16
WO-2019161280-A1	Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection	2018-02-16
AU-2019222559-A1	Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection	2018-02-16
CA-3090280-A1	Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviridae viral infection	2018-02-16
EP-3752496-A1	Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection	2018-02-16
KR-20200120941-A	Methods and intermediates for making therapeutic compounds useful for the treatment of retroviridae viral infections	2018-02-16
US-2020369647-A1	Methods and intermediates for preparing therapeutic compounds	2018-02-16
JP-2021513983-A	Methods and Intermediates for Preparing Therapeutic Compounds Useful in the Treatment of Retroviridae Virus Infections	2018-02-16

Literatures

PMID	Publication Date	Title	Journal
12633077	2003-03-20	Synthesis of 2'-C-beta-fluoromethyluridine	Organic letters
9853654	1998-11-01	Phenytoin-induced dermatomyositis: case report and literature review	Journal of child neurology

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