Skip to the beginning of the images gallery

Octadecylboronic acid , CAS No.4445-09-4

COA

Cas Number: 4445-09-4
PubChem CID: 521161

In stock

Item Number

O290784

Grouped product items
SKU	Size	Availability	Price	Qty
O290784-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,116.90

Basic Description

Synonyms	OCTADECYLBORONIC ACID \| 4445-09-4 \| 1-Stearylboronic acid \| Boronic acid, octadecyl- \| 1-OCTADECANEBORONIC ACID \| BRN 1772489 \| n-Octadecyldihydroxyborane \| OCTADECYLBORONICACID \| SCHEMBL6805211 \| DTXSID70196181 \| MFCD00045717 \| AKOS015839784 \| BS-23816 \| CS-0177247

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acids
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acids
Alternative Parents	Organic metalloid salts Organic oxygen compounds Monoalkylboranes Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Boronic acid - Organic metalloid salt - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic salt - Organoboron compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	octadecylboronic acid
INCHI	InChI=1S/C18H39BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h20-21H,2-18H2,1H3
InChIKey	HGDBMZFQJKWYNK-UHFFFAOYSA-N
Smiles	B(CCCCCCCCCCCCCCCCCC)(O)O
Isomeric SMILES	B(CCCCCCCCCCCCCCCCCC)(O)O
Reaxy-Rn	1772489
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772489&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	~419° C at 760 mmHg (Predicted)
Melt Point(°C)	169.03° C (Predicted)
Molecular Weight	298.300 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Exact Mass	298.304 Da
Monoisotopic Mass	298.304 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration