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(S)-1-(2-Fluorophenyl)ethanol - 97%, high purity , CAS No.171032-87-4

COA

Grade & Purity:

≥97%

Cas Number: 171032-87-4
Molecular Weight: 140.16
PubChem CID: 7023576
PubChem SID: 488196176

In stock

Item Number

S191492

Grouped product items
SKU	Size	Availability	Price
S191492-100mg	100mg	6	$14.90
S191492-250mg	250mg	5	$32.90
S191492-1g	1g	5	$115.90
S191492-5g	5g	2	$521.90

Basic Description

Synonyms	(S)-1-(2-Fluorophenyl)ethanol \| 171032-87-4 \| (1S)-1-(2-fluorophenyl)ethanol \| (1S)-1-(2-fluorophenyl)ethan-1-ol \| MFCD03092992 \| SCHEMBL213828 \| (s)-1-(o-fluorophenyl)ethanol \| SXFYVXSOEBCFLV-LURJTMIESA-N \| (s)-1-(2-fluoro-phenyl)-ethanol \| BCP12488 \| (5)-1-(2-Fluoro-phenyl
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	(S)-1-(2-Fluorophenyl)ethanol is a building block used in organic synthesis such as JN403, a novel nicotinic acetylcholine receptor α7 agonist.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Secondary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	488196176
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196176
IUPAC Name	(1S)-1-(2-fluorophenyl)ethanol
INCHI	InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChIKey	SXFYVXSOEBCFLV-LURJTMIESA-N
Smiles	CC(C1=CC=CC=C1F)O
Isomeric SMILES	C[C@@H](C1=CC=CC=C1F)O
Molecular Weight	140.16
Reaxy-Rn	2353511
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353511&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
C2316412	Certificate of Analysis	Dec 07, 2022	S191492
C2316413	Certificate of Analysis	Dec 07, 2022	S191492
C2316411	Certificate of Analysis	Dec 07, 2022	S191492
F2519139	Certificate of Analysis	Dec 07, 2022	S191492
C2316349	Certificate of Analysis	Dec 07, 2022	S191492
C2316409	Certificate of Analysis	Dec 07, 2022	S191492
C2316410	Certificate of Analysis	Dec 07, 2022	S191492
C2316407	Certificate of Analysis	Dec 07, 2022	S191492

Chemical and Physical Properties

Molecular Weight	140.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.064 Da
Monoisotopic Mass	140.064 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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