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Toluene-3,4-dithiol - 97%, high purity , CAS No.496-74-2

COA

Grade & Purity:

≥97%

Cas Number: 496-74-2
Molecular Weight: 156.27
Beilstein Registry Number: 1635270
EC Number: 207-828-3
MDL number: MFCD00004844
PubChem CID: 10334

In stock

Item Number

T113451

Grouped product items
SKU	Size	Availability	Price
T113451-200mg	200mg	2	$19.90
T113451-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$61.90
T113451-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$261.90

View related series

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

Basic Description

Synonyms	AS-57163 \| acs.jmedchem.1c00409_ST.258 \| MFCD00004844 \| 3,4-toluenedithiol \| EINECS 207-828-3 \| SCHEMBL331198 \| BDBM512664 \| 3,4-Dimercaptotoluene \| TOLUENE-3,4-DITHIOL [MI] \| UNII-U89B11P7SC \| NSC5391 \| NSC-5391 \| FT-0709480 \| NSC 5391 \| USAF B-59 \| Tolu
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Usually used as a reagent for the spectrophotometric determination of Mo, Sn, W, and also Ag and Re.

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	Toluenes Thiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Toluene - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur 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

IUPAC Name	4-methylbenzene-1,2-dithiol
INCHI	InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey	NIAAGQAEVGMHPM-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)S)S
Isomeric SMILES	CC1=CC(=C(C=C1)S)S
WGK Germany	3
RTECS	XT2275000
UN Number	2810
Molecular Weight	156.27
Beilstein	1635270
Reaxy-Rn	1635270

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.

9 results found

Lot Number	Certificate Type	Date	Item
L2209749	Certificate of Analysis	Sep 06, 2024	T113451
L2209733	Certificate of Analysis	Sep 06, 2024	T113451
K2125255	Certificate of Analysis	Aug 04, 2023	T113451
K2125311	Certificate of Analysis	Aug 04, 2023	T113451
L2209748	Certificate of Analysis	Oct 26, 2022	T113451
L2209747	Certificate of Analysis	Oct 26, 2022	T113451
C2427069	Certificate of Analysis	Oct 26, 2022	T113451
F2221161	Certificate of Analysis	Jun 04, 2022	T113451
J2312094	Certificate of Analysis	Jun 04, 2022	T113451

Chemical and Physical Properties

Solubility	Soluble in Benzene,Chloroform
Sensitivity	Air sensitive.
Freezing Point(°C)	30 °C
Flash Point(°F)	235.4℉
Flash Point(°C)	113°C
Boil Point(°C)	185°C
Melt Point(°C)	27°C
Molecular Weight	156.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	156.007 Da
Monoisotopic Mass	156.007 Da
Topological Polar Surface Area	2.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.900
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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