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

CAS: 496-74-2 Cat. No.: T113451 Summenformel: C₇H₈S₂ Molekulargewicht: 156.27 Beilstein Registry Number: 1635270 EG-Nummer: 207-828-3

GRADE & PURITY ≥97%

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

Storage

Store at -20°C,Argon charged

Shipped In

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Übersicht

Usually used as a reagent for the spectrophotometric determination of Mo, Sn, W, and also Ag and Re.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

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Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528773560
• Kanonisches Lächeln: CC1=CC(=C(C=C1)S)S
• IUPAC Name: 4-methylbenzene-1,2-dithiol
• InChIKey: NIAAGQAEVGMHPM-UHFFFAOYSA-N
• INCHI: 1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
• Isomere SMILES: CC1=CC(=C(C=C1)S)S
• WGK Deutschland: 3
• RTECS: XT2275000
• UN-Nummer: 2810
• Molekulargewicht: 156.27
• Beilstein: 1635270
• Reaxy-Rn: 1635270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Benzene,Chloroform
• Empfindlichkeit: Air sensitive.
• Gefrierpunkt (°C): 30 °C
• Flammpunkt (°F): 235.4℉
• Flammpunkt (°C): 113°C
• Siedepunkt (°C): 185°C
• Schmelzpunkt (°C): 27°C
• Molekulargewicht: 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 Ų
• 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