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5-Aminobenzene-1,3-diol hydrochloride - 95%, high purity , CAS No.6318-56-5

COA

Grade & Purity:

≥95%

Cas Number: 6318-56-5
Molecular Weight: 161.59
MDL number: MFCD00662897
PubChem CID: 459248
PubChem SID: 504758912

In stock

Item Number

A304217

Grouped product items
SKU	Size	Availability	Price
A304217-250mg	250mg	3	$37.90
A304217-1g	1g	3	$104.90
A304217-5g	5g	2	$434.90

Basic Description

Synonyms	5-aminobenzene-1,3-diol hydrochloride \| 6318-56-5 \| 5-aminobenzene-1,3-diol;hydrochloride \| 1,3-Benzenediol, 5-amino-, hydrochloride \| 5-Aminobenzene-1,3-diol, HCl \| MFCD00662897 \| 5-Aminoresorcinol, hydrochloride \| 5-AMINOBENZENE-1,3-DIOL HCL \| SCHEMBL3182688 \| DTXSID4033
Specifications & Purity	≥95%
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 Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	m-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenol - M-aminophenol - Resorcinol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Amine - Hydrocarbon derivative - Hydrochloride - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
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	504758912
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758912
IUPAC Name	5-aminobenzene-1,3-diol;hydrochloride
INCHI	InChI=1S/C6H7NO2.ClH/c7-4-1-5(8)3-6(9)2-4;/h1-3,8-9H,7H2;1H
InChIKey	VNZZCDQPCQIUGG-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1O)O)N.Cl
Isomeric SMILES	C1=C(C=C(C=C1O)O)N.Cl
Molecular Weight	161.59
Reaxy-Rn	5114284
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5114284&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L2106214	Certificate of Analysis	Sep 20, 2024	A304217
L2106288	Certificate of Analysis	Sep 20, 2024	A304217
L2106289	Certificate of Analysis	Sep 20, 2024	A304217

Chemical and Physical Properties

Melt Point(°C)	182ºC
Molecular Weight	161.580 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	161.024 Da
Monoisotopic Mass	161.024 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.100
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	2

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