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3,4-Dichloro-1,2,5-thiadiazole - >98.0%(GC), high purity , CAS No.5728-20-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5728-20-1
Molecular Weight: 155
MDL number: MFCD00010072
PubChem CID: 79804
PubChem SID: 504755422

In stock

Item Number

D156009

Grouped product items
SKU	Size	Availability	Price
D156009-5g	5g	2	$9.90
D156009-25g	25g	3	$38.90
D156009-100g	100g	1	$136.90
D156009-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$615.90

View related series

Halogenated heterocyclic block (1171) Thiadiazoles (58)

Basic Description

Synonyms	EN300-18669 \| SCHEMBL1679672 \| AS-13223 \| AKOS005186885 \| W-105477 \| BBL027771 \| 3,4-dichloro-[1,2,5]thiadiazole \| EINECS 227-232-7 \| MFCD00010072 \| F14865 \| D3547 \| A831366 \| DTXSID00205896 \| F0001-1496 \| STK801437 \| 4,5-dichloro-2,1,3-thiadiazole \| 1-Be
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3,4-Dichloro-1,2,5-thiadiazole has been employed: ·as guest molecule to investigate solid-state 13C NMR spectra of inclusion compounds of 2,6-dimethyl-bicyclo[3.3.1]nonane-exo-2-exo-6-diol with small organic molecules · in preparation of [1,2,5]thiadiazol-3-yl-piperazine compounds

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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	504755422
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755422
IUPAC Name	3,4-dichloro-1,2,5-thiadiazole
INCHI	InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
InChIKey	YNZQOVYRCBAMEU-UHFFFAOYSA-N
Smiles	C1(=NSN=C1Cl)Cl
Isomeric SMILES	C1(=NSN=C1Cl)Cl
WGK Germany	2
Molecular Weight	155
Reaxy-Rn	606585
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606585&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2412310	Certificate of Analysis	Jul 01, 2024	D156009
I2412344	Certificate of Analysis	Jul 01, 2024	D156009
G2303538	Certificate of Analysis	Apr 12, 2023	D156009
F1913265	Certificate of Analysis	Apr 12, 2023	D156009
G2303534	Certificate of Analysis	Apr 12, 2023	D156009

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.562
Flash Point(°F)	>100℃
Flash Point(°C)	>100℃
Boil Point(°C)	158°C
Molecular Weight	155.010 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.916 Da
Monoisotopic Mass	153.916 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	62.700
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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