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3-Fluoro-4-nitrophenol - 98%, high purity , CAS No.394-41-2

COA

Grade & Purity:

≥98%

Cas Number: 394-41-2
Molecular Weight: 157.1
Beilstein Registry Number: 6(2)226
EC Number: 206-895-6
MDL number: MFCD00041251
PubChem CID: 520948
PubChem SID: 488190086

In stock

Item Number

F397347

Grouped product items
SKU	Size	Availability	Price
F397347-1g	1g	5	$48.90
F397347-5g	5g	2	$157.90
F397347-25g	25g	2	$652.90
F397347-100g	100g	1	$2,059.90

Discover 3-Fluoro-4-nitrophenol by Aladdin Scientific in 98% for only $48.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Fluoro-4-nitrophenol, 99% \| InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9 \| EINECS 206-895-6 \| 3-Fluoro-4-nitrophenol \| 3-fluoro-4-nitro-phenol \| AM20040363 \| SCHEMBL375963 \| STL555251 \| SY001609 \| EN300-55149 \| FNN \| W-106431 \| BBL101455 \| 3-fluor
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3-Fluoro-4-nitrophenol was used in solid phase synthesis of benzimidazoles and quinoxalin-2-ones. It was also used in the synthesis of 2-hydroxy-4-[(E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yloxy]nitrobenzene.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Nitrophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Nitrophenols
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenols
Alternative Parents	Nitrobenzenes Nitroaromatic compounds M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
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	488190086
IUPAC Name	3-fluoro-4-nitrophenol
INCHI	InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChIKey	CSSGKHVRDGATJL-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)F)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=C(C=C1O)F)[N+](=O)[O-]
WGK Germany	2
Molecular Weight	157.1
Beilstein	6(2)226
Reaxy-Rn	2048033
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048033&ln=

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

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7 results found

Lot Number	Certificate Type	Date	Item
L2412321	Certificate of Analysis	Dec 16, 2024	F397347
I2403418	Certificate of Analysis	Jun 22, 2024	F397347
J2130322	Certificate of Analysis	Aug 18, 2023	F397347
J2130402	Certificate of Analysis	Aug 18, 2023	F397347
J2130403	Certificate of Analysis	Aug 18, 2023	F397347
J2130321	Certificate of Analysis	Aug 18, 2023	F397347
G2318161	Certificate of Analysis	Jul 21, 2023	F397347

Chemical and Physical Properties

Melt Point(°C)	93-95°C
Molecular Weight	157.100 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	157.018 Da
Monoisotopic Mass	157.018 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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