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2,4,5-Trichlorobenzenethiol - >97.0%, high purity , CAS No.3773-14-6

COA

Grade & Purity:

≥97%

Cas Number: 3773-14-6
Molecular Weight: 213.5
MDL number: MFCD00014447
PubChem CID: 19597
PubChem SID: 504752939

In stock

Item Number

T162377

Grouped product items
SKU	Size	Availability	Price
T162377-1g	1g	1	$39.90
T162377-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$150.90
T162377-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$230.90

View related series

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

Basic Description

Synonyms	2,4,5-tris(chloranyl)benzenethiol \| NSC41933 \| NSC-41933 \| A843742 \| NSC 41933 \| AKOS024319187 \| Renacit II \| AS-58528 \| BRN 0509727 \| 2,4,5-Trichlorothiophenol \| 2,4,5-trichloro-thiophenol \| FT-0609795 \| T0728 \| DTXSID80191167 \| 2,4,5-TRICHLOROBENZENETHI
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

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	Chlorobenzenes Aryl chlorides Thiols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - 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

Names and Identifiers

Pubchem Sid	504752939
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752939
IUPAC Name	2,4,5-trichlorobenzenethiol
INCHI	InChI=1S/C6H3Cl3S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey	JARIALSGFXECCH-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1Cl)Cl)Cl)S
Isomeric SMILES	C1=C(C(=CC(=C1Cl)Cl)Cl)S
RTECS	DC1948000
PubChem CID	19597
Molecular Weight	213.5
Reaxy-Rn	509727

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I2118434	Certificate of Analysis	Jul 08, 2024	T162377
I2118436	Certificate of Analysis	Jul 08, 2024	T162377
I2118437	Certificate of Analysis	Jul 08, 2024	T162377
I2118435	Certificate of Analysis	Jul 08, 2024	T162377
I2118438	Certificate of Analysis	Jul 08, 2024	T162377
I1927086	Certificate of Analysis	Aug 06, 2022	T162377

Chemical and Physical Properties

Sensitivity	air sensitive
Boil Point(°C)	153-154°/15mmHg
Melt Point(°C)	112-118°C
Molecular Weight	213.500 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	211.902 Da
Monoisotopic Mass	211.902 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120.000
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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