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5-Fluoro-2-mercaptobenzoic acid - 96%, high purity , CAS No.120121-07-5

COA

Grade & Purity:

≥96%

Cas Number: 120121-07-5
Molecular Weight: 172.18
MDL number: MFCD02683508
PubChem CID: 2783371

In stock

Item Number

F166400

Grouped product items
SKU	Size	Availability	Price	Qty
F166400-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
F166400-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90

Discover 5-Fluoro-2-mercaptobenzoic acid by Aladdin Scientific in 96% for only $61.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AKOS009157961 \| A804436 \| DTXSID40382615 \| SCHEMBL1424485 \| EN300-134812 \| 5-fluorothiosalicylic Acid \| FT-0692726 \| Benzoic acid, 5-fluoro-2-mercapto- \| MFCD02683508 \| WSOZOINWBSJTER-UHFFFAOYSA-N \| J-004263 \| 5-Fluoro-2-mercaptobenzoic acid, 96% \| 5-Fluo
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	5-Fluoro-2-mercaptobenzoic acid (5-fluoro-2-sulfanylbenzoic acid) is an aryl fluorinated building block.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Sulfanylbenzoic acids and derivatives
        Level6 O-sulfanylbenzoic acids and derivatives
        Level7 O-sulfanylbenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct Parent	O-sulfanylbenzoic acids
Alternative Parents	Halobenzoic acids 3-halobenzoic acids Benzoic acids Thiophenols Benzoyl derivatives Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - O-sulfanylbenzoic acid - Benzoic acid - Thiophenol - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Arylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
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

IUPAC Name	5-fluoro-2-sulfanylbenzoic acid
INCHI	InChI=1S/C7H5FO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)
InChIKey	WSOZOINWBSJTER-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C(=O)O)S
Isomeric SMILES	C1=CC(=C(C=C1F)C(=O)O)S
WGK Germany	3
Molecular Weight	172.18
Reaxy-Rn	6501514
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6501514&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	137-142 °C
Molecular Weight	172.180 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	171.999 Da
Monoisotopic Mass	171.999 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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