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4-Chloro-3-(n-propylaminocarbonyl)phenylboronic acid(with quantitative anhydride) - 98%, high purity , CAS No.871332-93-3

COA

Grade & Purity:

≥98%

Cas Number: 871332-93-3
Molecular Weight: 241.5
PubChem CID: 44886946
PubChem SID: 504770492

In stock

Item Number

C187379

Grouped product items
SKU	Size	Availability	Price
C187379-250mg	250mg	3	$71.90
C187379-1g	1g	3	$192.90
C187379-5g	5g	3	$574.90
C187379-25g	25g	2	$2,011.90

Basic Description

Synonyms	871332-93-3 \| (4-Chloro-3-(propylcarbamoyl)phenyl)boronic acid \| 4-Chloro-3-(n-propylaminocarbonyl)phenylboronic acid \| [4-chloro-3-(propylcarbamoyl)phenyl]boronic acid \| MFCD07783885 \| 4-CHLORO-3-(PROPYLCARBAMOYL)PHENYLBORONIC ACID \| (4-Chloro-3-(propylcarbamoyl)phe
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 2-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	2-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Organic metalloid salt - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
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

Pubchem Sid	504770492
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770492
IUPAC Name	[4-chloro-3-(propylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C10H13BClNO3/c1-2-5-13-10(14)8-6-7(11(15)16)3-4-9(8)12/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
InChIKey	XLTPPRMTVOUDFG-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)Cl)C(=O)NCCC)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)Cl)C(=O)NCCC)(O)O
PubChem CID	44886946
Molecular Weight	241.5

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
G2228412	Certificate of Analysis	May 09, 2025	C187379
G2228402	Certificate of Analysis	May 09, 2025	C187379
G2228413	Certificate of Analysis	May 09, 2025	C187379
G2228403	Certificate of Analysis	May 09, 2025	C187379
I2419128	Certificate of Analysis	Jun 05, 2022	C187379

Chemical and Physical Properties

Refractive Index	1.554
Molecular Weight	241.480 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	241.068 Da
Monoisotopic Mass	241.068 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	240.000
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

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