Skip to the beginning of the images gallery

3-(n-Butylaminocarbonyl)-5-nitrophenylboronic acid - 97%, high purity , CAS No.871332-89-7

COA

Grade & Purity:

≥97%

Cas Number: 871332-89-7
Molecular Weight: 266.1
PubChem CID: 44119843

In stock

Item Number

N187375

Grouped product items
SKU	Size	Availability	Price
N187375-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$588.90
N187375-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,560.90
N187375-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,219.90

Basic Description

Synonyms	871332-89-7 \| (3-(Butylcarbamoyl)-5-nitrophenyl)boronic acid \| 3-(n-Butylaminocarbonyl)-5-nitrophenylboronic acid \| [3-(butylcarbamoyl)-5-nitrophenyl]boronic acid \| 3-(Butylaminocarbonyl)-5-nitrobenzeneboronic acid \| 3-(Butylcarbamoyl)-5-nitrobenzeneboronic acid \| 3-
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzamides Nitroaromatic compounds Benzoyl derivatives Secondary carboxylic acid amides Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid derivative - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Boronic acid - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	[3-(butylcarbamoyl)-5-nitrophenyl]boronic acid
INCHI	InChI=1S/C11H15BN2O5/c1-2-3-4-13-11(15)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,2-4H2,1H3,(H,13,15)
InChIKey	BXFORXWKNBRZNX-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCC)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCC)(O)O
PubChem CID	44119843
Molecular Weight	266.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	266.060 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	266.107 Da
Monoisotopic Mass	266.107 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	321.000
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