2,3,5,6-Tetrafluorobenzenethiol - ≥97%(GC) , CAS No.769-40-4

Name: 2,3,5,6-Tetrafluorobenzenethiol - ≥97%(GC) , CAS No.769-40-4
Brand: Aladdin Scientific
SKU: T162368
Availability: InStock

CAS: 769-40-4 Cat. No.: T162368 Molecular Weight: 182.14 EC Number: 212-210-1 PubChem CID: 69859

2 Citations COA

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2,3,5,6-Tetrafluorobenzenethiol - ≥97%(GC) CAS No(769-40-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%(GC)

Synonyms

NSC96887 | NSC-96887 | AKOS015853343 | 2,3,5,6-Tetrafluorobenzenethiol, 97% | Benzenethiol, 2,3,5,6-tetrafluoro- | NCI60_042158 | NSC 96887 | C6H2F4S | EN300-673740 | 2,3,5,6-tetrafluorobenzene-1-thiol | UNII-OU983I5IKR | LS-13113 | 2,3,5,6-Tetrafluorophe

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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.

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Literature proof

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

Specifications

Synonyms

NSC96887 | NSC-96887 | AKOS015853343 | 2, 3, 5, 6-Tetrafluorobenzenethiol, 97% | Benzenethiol, 2, 3, 5, 6-tetrafluoro- | NCI60_042158 | NSC 96887 | C6H2F4S | EN300-673740 | 2, 3, 5, 6-tetrafluorobenzene-1-thiol | UNII-OU983I5IKR | LS-13113 | 2, 3, 5, 6-Tetrafluorophe

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Canonical Smiles	C1=C(C(=C(C(=C1F)F)S)F)F
IUPAC Name	2,3,5,6-tetrafluorobenzenethiol
InChIKey	IGOGJHYWSOZGAE-UHFFFAOYSA-N
INCHI	1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
Isomeric SMILES	C1=C(C(=C(C(=C1F)F)S)F)F
WGK Germany	3
PubChem CID	69859
UN Number	3336
Packing Group	III
Molecular Weight	182.14
Reaxy-Rn	2049589

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Fluorobenzenes Aryl fluorides Thiols Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This 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
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
A2621095	Certificate of Analysis	Jan 30, 2026	T162368
K2521169	Certificate of Analysis	Dec 02, 2025	T162368
J2522081	Certificate of Analysis	Nov 06, 2025	T162368
D2517060	Certificate of Analysis	Apr 22, 2025	T162368
F1925087	Certificate of Analysis	Apr 13, 2023	T162368
K2306155	Certificate of Analysis	Apr 13, 2023	T162368
L2208695	Certificate of Analysis	Dec 23, 2022	T162368

Sensitivity	Air Sensitive
Refractive Index	n20/D 1.4865 (lit.)
Flash Point(°F)	118.4 °F
Flash Point(°C)	48 °C
Boil Point(°C)	152-153 °C (lit.)
Molecular Weight	182.140 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	181.981 Da
Monoisotopic Mass	181.981 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129.000
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