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2,3-Difluoro-4-hydroxybenzonitrile - 95%, high purity , CAS No.126162-38-7

COA

Grade & Purity:

≥95%

Cas Number: 126162-38-7
Molecular Weight: 155.1
MDL number: MFCD00269596
PubChem CID: 2736978
PubChem SID: 488192853

In stock

Item Number

D122741

Grouped product items
SKU	Size	Availability	Price
D122741-250mg	250mg	3	$40.90
D122741-1g	1g	10	$123.90
D122741-5g	5g	4	$555.90

Basic Description

Synonyms	2,3-Difluoro-4-hydroxybenzonitrile \| 126162-38-7 \| 4-cyano-2,3-difluorophenol \| Benzonitrile, 2,3-difluoro-4-hydroxy- \| 2,3-Difluoro-4-Cyanophenol \| MFCD00269596 \| SCHEMBL1128771 \| DTXSID70371739 \| UIJJJWADIVZXNT-UHFFFAOYSA-N \| BBL100518 \| STL554312 \| AKOS005254219 \| AC-4062 \| CS-
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	O-fluorophenols M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Nitriles Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	488192853
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192853
IUPAC Name	2,3-difluoro-4-hydroxybenzonitrile
INCHI	InChI=1S/C7H3F2NO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H
InChIKey	UIJJJWADIVZXNT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1C#N)F)F)O
Isomeric SMILES	C1=CC(=C(C(=C1C#N)F)F)O
Molecular Weight	155.1
Reaxy-Rn	9552058
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9552058&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
J1620024	Certificate of Analysis	Jun 06, 2024	D122741
L2201166	Certificate of Analysis	Aug 22, 2022	D122741
L2202421	Certificate of Analysis	Aug 22, 2022	D122741
D2303387	Certificate of Analysis	Aug 22, 2022	D122741
L2201199	Certificate of Analysis	Aug 22, 2022	D122741

Chemical and Physical Properties

Melt Point(°C)	145-149°C
Molecular Weight	155.100 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	155.018 Da
Monoisotopic Mass	155.018 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188.000
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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