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3,5-Dihydroxybenzonitrile - 98%, high purity , CAS No.19179-36-3

COA

Grade & Purity:

≥98%

Cas Number: 19179-36-3
Molecular Weight: 135.12
Beilstein Registry Number: 6322491
EC Number: 242-859-6
MDL number: MFCD00016453
PubChem CID: 87952

In stock

Item Number

D123485

Grouped product items
SKU	Size	Availability	Price
D123485-250mg	250mg	3	$9.90
D123485-1g	1g	3	$19.90
D123485-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

View related series

Cyanides/Nitriles (14) phenol (506)

Basic Description

Synonyms	J-012396 \| 3,5-Dihydroxybenzonitrile, AldrichCPR \| GS-6005 \| Benzonitrile, 3,5-dihydroxy- \| AM814 \| A813520 \| 3,5-Dihydroxybenzonitrile \| 3,5-dihydroxy-benzonitrile \| AKOS004121467 \| 5-cyanoresorcinol \| SCHEMBL214163 \| SB34723 \| FT-0614623 \| a-Resorcyloni
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 Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	Benzonitriles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Resorcinol - Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

IUPAC Name	3,5-dihydroxybenzonitrile
INCHI	InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H
InChIKey	ABHOEQJNEOMTEK-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1O)O)C#N
Isomeric SMILES	C1=C(C=C(C=C1O)O)C#N
Molecular Weight	135.12
Beilstein	6322491
Reaxy-Rn	6322491
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6322491&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2426151	Certificate of Analysis	Apr 16, 2024	D123485
D2426153	Certificate of Analysis	Apr 16, 2024	D123485
D2426152	Certificate of Analysis	Apr 16, 2024	D123485
D2426154	Certificate of Analysis	Apr 16, 2024	D123485
D2426155	Certificate of Analysis	Apr 16, 2024	D123485
D2426150	Certificate of Analysis	Apr 16, 2024	D123485

Chemical and Physical Properties

Solubility	Soluble in water.
Melt Point(°C)	185-190°C
Molecular Weight	135.120 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	135.032 Da
Monoisotopic Mass	135.032 Da
Topological Polar Surface Area	64.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	150.000
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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