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4-Fluoro-2-methoxybenzonitrile - 97%, high purity , CAS No.191014-55-8

COA

Grade & Purity:

≥97%

Cas Number: 191014-55-8
Molecular Weight: 151.14
MDL number: MFCD04116335
PubChem CID: 2783329
PubChem SID: 488193945

In stock

Item Number

F122747

Grouped product items
SKU	Size	Availability	Price
F122747-1g	1g	≥10	$56.90
F122747-5g	5g	3	$252.90
F122747-25g	25g	3	$1,135.90
F122747-100g	100g	3	$4,086.90

Basic Description

Synonyms	4-Fluoro-2-methoxybenzonitrile \| 191014-55-8 \| Benzonitrile, 4-fluoro-2-methoxy- \| 2-methoxy-4-fluorobenzonitrile \| MFCD04116335 \| 4-fluoro-2-methoxy-benzonitrile \| 4-Fluoro-o-anisonitrile \| Benzonitrile, 4-fluoro-2-methoxy- (9CI) \| 2-Cyano-5-fluoroanisole \| SCHEMBL551293 \|
Specifications & Purity	≥97%
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	Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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	488193945
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193945
IUPAC Name	4-fluoro-2-methoxybenzonitrile
INCHI	InChI=1S/C8H6FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChIKey	HGBKZVIQHCUHRI-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)F)C#N
Isomeric SMILES	COC1=C(C=CC(=C1)F)C#N
Molecular Weight	151.14
Reaxy-Rn	14338358
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14338358&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
E1703126	Certificate of Analysis	Jan 20, 2025	F122747
K2228436	Certificate of Analysis	Dec 09, 2022	F122747
J22111087	Certificate of Analysis	Aug 22, 2022	F122747
J22111088	Certificate of Analysis	Aug 22, 2022	F122747
J22111089	Certificate of Analysis	Aug 22, 2022	F122747

Chemical and Physical Properties

Melt Point(°C)	75-77°C
Molecular Weight	151.140 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.043 Da
Monoisotopic Mass	151.043 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174.000
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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