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4-Chlorobenzenemethanethiol - 98%, high purity , CAS No.6258-66-8

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4-Chlorobenzenemethanethiol - 98%, high purity , CAS No.6258-66-8

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 6258-66-8
Molecular Weight: 158.65
Beilstein Registry Number: 6466
EC Number: 228-395-7
MDL number: MFCD00004870
PubChem CID: 80409

In stock

Item Number

C101789

Grouped product items
SKU	Size	Availability	Price
C101789-5g	5g	3	$13.90
C101789-25g	25g	2	$53.90
C101789-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$191.90
C101789-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$459.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	AKOS000119503 \| 4-chloro-alpha-toluenethiol \| 4-chlorophenyl methanethiol \| FT-0607326 \| A833868 \| BDBM50325564 \| STR02043 \| 4-Chlorobenzenemethanethiol, 98% \| SCHEMBL307618 \| Z55948216 \| DTXSID00211619 \| 4-chlorobenzyl thiol \| EN300-16493 \| 4-Chlorobenze
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

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	Chlorobenzenes
Alternative Parents	Aryl chlorides Alkylthiols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(4-chlorophenyl)methanethiol
INCHI	InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey	GKQXPTHQTXCXEV-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CS)Cl
Isomeric SMILES	C1=CC(=CC=C1CS)Cl
WGK Germany	3
Molecular Weight	158.65
Beilstein	6466
Reaxy-Rn	606496
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606496&ln=

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.

12 results found

Lot Number	Certificate Type	Date	Item
G2114040	Certificate of Analysis	Apr 08, 2025	C101789
D2314686	Certificate of Analysis	Dec 16, 2022	C101789
D2314765	Certificate of Analysis	Dec 16, 2022	C101789
D2314695	Certificate of Analysis	Dec 16, 2022	C101789
D2314574	Certificate of Analysis	Dec 16, 2022	C101789
D2314667	Certificate of Analysis	Dec 16, 2022	C101789
D2314575	Certificate of Analysis	Dec 16, 2022	C101789
D2314678	Certificate of Analysis	Dec 16, 2022	C101789
F2202178	Certificate of Analysis	Mar 18, 2022	C101789
F2202179	Certificate of Analysis	Mar 18, 2022	C101789
F2202171	Certificate of Analysis	Mar 18, 2022	C101789
F2202180	Certificate of Analysis	Mar 18, 2022	C101789

Show more⌵

Chemical and Physical Properties

Sensitivity	Air sensitive.
Freezing Point(°C)	19 °C
Refractive Index	1.5893
Flash Point(°F)	170.6 °F
Flash Point(°C)	76 °C
Boil Point(°C)	103°C/12mmHg
Melt Point(°C)	19-20°C
Molecular Weight	158.650 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	157.996 Da
Monoisotopic Mass	157.996 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.000
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Luo Huihui, Tian Shuainan, Liang Hongliang, Wang He, Gao Shuang, Dai Wen. (2023) Oxidative cleavage and ammoxidation of organosulfur compounds via synergistic Co-Nx sites and Co nanoparticles catalysis. Nature Communications, 14 (1): (1-13).
2. Nani Zhou, Le Shen, Zhen Dong, Jiahong Shen, Lihua Du, Xiping Luo. (2018) Enzymatic Synthesis of Thioesters from Thiols and Vinyl Esters in a Continuous-Flow Microreactor. Catalysts, 8 (6): (249).

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