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2-Chlorobenzyl Thiocyanate - 98%, high purity , CAS No.2082-66-8

COA

Grade & Purity:

≥98%

Cas Number: 2082-66-8
Molecular Weight: 183.65
MDL number: MFCD09025671
PubChem CID: 286723
PubChem SID: 504758316

In stock

Item Number

C153807

Grouped product items
SKU	Size	Availability	Price
C153807-250mg	250mg	3	$11.90
C153807-1g	1g	3	$36.90
C153807-5g	5g	3	$131.90

View related series

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

Basic Description

Synonyms	Thiocyanic Acid 2-Chlorobenzyl Ester
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl thiocyanates
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl thiocyanates
Alternative Parents	Chlorobenzenes Aryl chlorides Thiocyanates Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl thiocyanate - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl thiocyanates. These are aromatic compounds containing an thiocyanate group that is S-substituted to a benzyl 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

Pubchem Sid	504758316
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758316
IUPAC Name	(2-chlorophenyl)methyl thiocyanate
INCHI	InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4H,5H2
InChIKey	BEQHMRYBIXNFTP-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CSC#N)Cl
Isomeric SMILES	C1=CC=C(C(=C1)CSC#N)Cl
Molecular Weight	183.65
Reaxy-Rn	2089869
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089869&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.

6 results found

Lot Number	Certificate Type	Date	Item
A2417271	Certificate of Analysis	Dec 14, 2023	C153807
A2417279	Certificate of Analysis	Dec 14, 2023	C153807
A2417280	Certificate of Analysis	Dec 14, 2023	C153807
A2417281	Certificate of Analysis	Dec 14, 2023	C153807
A2417282	Certificate of Analysis	Dec 14, 2023	C153807
A2417283	Certificate of Analysis	Dec 14, 2023	C153807

Chemical and Physical Properties

Refractive Index	1.59
Flash Point(°C)	130 °C
Boil Point(°C)	140°C/5mmHg(lit.)
Molecular Weight	183.660 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	182.991 Da
Monoisotopic Mass	182.991 Da
Topological Polar Surface Area	49.100 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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