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3-Fluoro-4-methoxybenzonitrile - 98%, high purity , CAS No.331-62-4

COA

Grade & Purity:

≥98%

Cas Number: 331-62-4
Molecular Weight: 151.14
Beilstein Registry Number: 10(3)359
MDL number: MFCD00215835
PubChem CID: 2774548
PubChem SID: 488193598

In stock

Item Number

F133310

Grouped product items
SKU	Size	Availability	Price
F133310-1g	1g	3	$34.90
F133310-5g	5g	9	$153.90
F133310-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$277.90
F133310-25g	25g	2	$623.90
F133310-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,243.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	STL195602 \| 4-Cyano-2-fluoroanisole \| FEEOVAOEPGQDTJ-UHFFFAOYSA-N \| PS-6574 \| 3-Fluoro-4-methoxybenzonitile \| 3-Fluoro-4-methoxybenzonitrile, 97% \| DTXSID90379095 \| 3-fluoro-4-methoxy benzonitrile \| SCHEMBL313099 \| SY016460 \| 3-fluoranyl-4-methoxy-benzene
Specifications & Purity	≥98%
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	488193598
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193598
IUPAC Name	3-fluoro-4-methoxybenzonitrile
INCHI	InChI=1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChIKey	FEEOVAOEPGQDTJ-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C#N)F
Isomeric SMILES	COC1=C(C=C(C=C1)C#N)F
WGK Germany	3
Molecular Weight	151.14
Beilstein	10(3)359
Reaxy-Rn	2965042
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2965042&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2411460	Certificate of Analysis	Mar 20, 2024	F133310
D2411461	Certificate of Analysis	Mar 20, 2024	F133310
D2411462	Certificate of Analysis	Mar 20, 2024	F133310
D2411463	Certificate of Analysis	Mar 20, 2024	F133310
K2322069	Certificate of Analysis	Nov 29, 2023	F133310
D2313425	Certificate of Analysis	Feb 03, 2023	F133310
G1522006	Certificate of Analysis	Feb 03, 2023	F133310
J2225129	Certificate of Analysis	Nov 07, 2022	F133310

Chemical and Physical Properties

Boil Point(°C)	98 °C/1.5 mmHg
Melt Point(°C)	101 °C
Molecular Weight	151.140 g/mol
XLogP3	1.700
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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