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4-(Methylthio)benzyl chloride - 97%, high purity , CAS No.874-87-3

COA

Grade & Purity:

≥97%

Cas Number: 874-87-3
Molecular Weight: 172.68
EC Number: 212-870-0
MDL number: MFCD00270118
PubChem CID: 70128

In stock

Item Number

M101851

Grouped product items
SKU	Size	Availability	Price
M101851-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
M101851-1g	1g	3	$43.90
M101851-5g	5g	2	$153.90
M101851-25g	25g	2	$538.90
M101851-100g	100g	1	$1,499.90

Basic Description

Synonyms	1-(chloromethyl)-4-methylsulfanylbenzene \| 4-Chloromethyl \| 4-chloromethylthioanisole \| 1-(chloromethyl)-4-(methylsulfanyl)benzene \| 1-(Chloromethyl)-4-(methylthio)benzene \| AB05549 \| H10874 \| 4-(Chloromethyl)thioanisole \| EINECS 212-870-0 \| FS-4564 \| Ben
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application 4-(Methylthio)benzyl chloride is used as pharmaceutical intermediate.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl chlorides
Alternative Parents	Thiophenol ethers Alkylarylthioethers Sulfenyl compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Benzyl chloride - Thiophenol ether - Alkylarylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
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	1-(chloromethyl)-4-methylsulfanylbenzene
INCHI	InChI=1S/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey	VWVZFHRDLPHBEG-UHFFFAOYSA-N
Smiles	CSC1=CC=C(C=C1)CCl
Isomeric SMILES	CSC1=CC=C(C=C1)CCl
WGK Germany	3
UN Number	1760
Molecular Weight	172.68
Reaxy-Rn	1907117
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907117&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
B2428237	Certificate of Analysis	Mar 14, 2024	M101851
B2428234	Certificate of Analysis	Mar 14, 2024	M101851
B2428235	Certificate of Analysis	Mar 14, 2024	M101851
F2404360	Certificate of Analysis	Jan 17, 2024	M101851
F2404361	Certificate of Analysis	Jan 17, 2024	M101851
K2316319	Certificate of Analysis	Nov 28, 2023	M101851
H1514090	Certificate of Analysis	Apr 12, 2023	M101851
K2201463	Certificate of Analysis	Aug 13, 2022	M101851
K2201494	Certificate of Analysis	Aug 13, 2022	M101851
K2201362	Certificate of Analysis	Aug 13, 2022	M101851
K2201379	Certificate of Analysis	Aug 13, 2022	M101851
C1823070	Certificate of Analysis	Jan 20, 2022	M101851

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Chemical and Physical Properties

Solubility	It hydrolyzes in water.
Sensitivity	Moisture sensitive.
Refractive Index	1.602
Flash Point(°F)	>110°(230°F)
Flash Point(°C)	>110°(230°F)
Boil Point(°C)	132°C/22mm
Molecular Weight	172.680 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	172.011 Da
Monoisotopic Mass	172.011 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.300
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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