3-Fluorothiophenol - ≥98% , CAS No.2557-77-9

CAS: 2557-77-9 Cat. No.: F101760 Molecular Weight: 128.17 EC Number: 219-876-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS005207049 | SCHEMBL18976 | F0422 | J-512564 | FT-0615753 | 3-Fluoro thiophenol | 3-fluorobenzene-1-thiol | 3-Mercaptofluorobenzene | MFCD00040227 | 3-Fluorobenzenethiol # | 3-fluoro benzenethiol | 3-Fluorothiophenol, 95% | 3-Fluorobenzenethiol | 3-Flu
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
F101760-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$15.90

$23.90
Save $8.00 (33.47%)
5g
F101760-5g
2

$60.90

$91.90
Save $31.00 (33.73%)
25g
F101760-25g
1

$180.90

$271.90
Save $91.00 (33.47%)
100g
F101760-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$649.90

$974.90
Save $325.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

3-Fluorothiophenol was used in the synthesis of dibenzo[bc,fg]dithiapentalene

Specifications

Synonyms
AKOS005207049 | SCHEMBL18976 | F0422 | J-512564 | FT-0615753 | 3-Fluoro thiophenol | 3-fluorobenzene-1-thiol | 3-Mercaptofluorobenzene | MFCD00040227 | 3-Fluorobenzenethiol # | 3-fluoro benzenethiol | 3-Fluorothiophenol, 95% | 3-Fluorobenzenethiol | 3-Flu
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC(=CC(=C1)S)F
IUPAC Name3-fluorobenzenethiol
InChIKeyZDEUGINAVLMAET-UHFFFAOYSA-N
INCHI1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H
Isomeric SMILES C1=CC(=CC(=C1)S)F
WGK Germany 3
UN Number 3336
Molecular Weight 128.17
Reaxy-Rn 2039302
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039302&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassThiophenols
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiophenols
Alternative Parents Fluorobenzenes  Aryl fluorides  Thiols  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Thiophenol - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot NumberCertificate TypeDateItem
F2526382Certificate of AnalysisJul 02, 2025 F101760
F2526383Certificate of AnalysisJul 02, 2025 F101760
F2526384Certificate of AnalysisJul 02, 2025 F101760
F2526385Certificate of AnalysisJul 02, 2025 F101760
L2123092Certificate of AnalysisJun 10, 2025 F101760
E2310205Certificate of AnalysisJan 22, 2025 F101760
E2310215Certificate of AnalysisJan 22, 2025 F101760
E2310224Certificate of AnalysisJan 22, 2025 F101760
E2310482Certificate of AnalysisJan 22, 2025 F101760
H1929215Certificate of AnalysisDec 12, 2024 F101760
J2524463Certificate of AnalysisJun 18, 2024 F101760
G1522013Certificate of AnalysisJan 05, 2023 F101760
A2310224Certificate of AnalysisOct 11, 2022 F101760

Show more ⌵

Chemical and Physical Properties
SensitivityAir sensitive.
Refractive Index1.55
Flash Point(°F)147.2 °F
Flash Point(°C)64 °C
Boil Point(°C)170°C
Molecular Weight128.169 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.01 Da
Monoisotopic Mass128.01 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Longzi Liang, Haojun Sun, Yixuan Wu, Guangyu Liu, Lihua Li, Xiang Chen, Yuqing Zhang.  (2024)  Surface-Enhanced Raman Scattering-Encoded Gold Nanostars for Multiplexed Steganographic Anticounterfeiting Labels.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c03742]
2. Wei Xiaozhen, Zhang Kai, Chen Haining, Zhong Weibiao, Lin Qifeng, Huang Xianzhen, Lv Chunyu, Du Yujiang, Liu Huicong, Hai Guangtong, Zhu Cheng, Li Weiping, Bai Yang, Yang Shihe.  (2025)  Vapour-assisted surface treatment for highly stable fully printed carbon-electrode perovskite solar modules.  Nature Photonics,      [PMID:] [10.1038/s41566-025-01790-2]
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.