2-PHENYL-1,3,2-DIOXABORINANE

Inquiry

Molecular Formula:

C9H11BO2

Molecular Weight:

161.99

CAS Number:

4406-77-3

Catalog Number:

4406-77-3

Product Information

Molecular Formula:

C9H11BO2

Molecular Weight:

161.99

Description

Due to its unique structural composition, 2-PHENYL-1,3,2-DIOXABORINANE has become a key intermediate to solve tumor pathology, inflammation and neurological diseases.

Synonyms

2-PHENYL-1,3,2-DIOXABORINANE; Phenylboronic acid 1,3-propanediol ester, 99%; 2-Phenyl-1,3,2-dioxaborinane, Phenyl boronic acid glycol ester; 2-Phenyl-1,3-dioxa-2-boracyclohexane; 2-Phenyl-2-bora-1,3-dioxane; 2-Phenyl-5,6-dihydro-4H-1,3,2-dioxaborin; 2-Phe

IUPAC Name

2-phenyl-1,3,2-dioxaborinane

Canonical SMILES

B1(OCCCO1)C2=CC=CC=C2

InChI

InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2

InChI Key

QLWMDSAMEIJLQB-UHFFFAOYSA-N

Boiling Point

106 °C/2 mmHg (lit.)

Flash Point

235.4 °F - closed cup

Purity

95%

Density

1.077

Refractive Index

n20/D 1.528 (lit.)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.0852098 g/mol

Monoisotopic Mass

162.0852098 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

129

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
EP-3725784-A1	Functionalized alpha-angelica lactone monomers and polymers obtained therefrom	2019-04-16
WO-2020212041-A1	FUNCTIONALIZED Î±-ANGELICA LACTONE MONOMERS AND POLYMERS OBTAINED THEREFROM	2019-04-16
US-2022033370-A1	Functionalized a- angelica lactone monomers and polymers obtained therefrom	2019-04-16
WO-2019118476-A1	Processes for isolation and recovery of c5 sugars	2017-12-11
BR-112020011690-A2	processes for isolating and recovering c5 sugars	2017-12-11
CA-3084665-A1	Processes for isolation and recovery of c5 sugars	2017-12-11
EP-3710603-A1	Processes for isolation and recovery of c5 sugars	2017-12-11
US-2021071273-A1	Processes for isolation and recovery of c5 sugars	2017-12-11
KR-20200037309-A	Photosensitive resin composition, dry film, cured product, printed wiring board, semiconductor element and electronic component	2017-07-31
WO-2019026772-A1	PHOTOSENSITIVE RESIN COMPOSITION, DRY FILM, CURED PRODUCT, CIRCUIT BOARD, SEMICONDUCTOR ELEMENT, AND ELECTRONIC COMPONENT	2017-07-31

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The dilution calculator equation

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