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

CAS: 496-74-2 Cat. No.: T113451 Formula: C₇H₈S₂ Peso molecolare: 156.27 Beilstein Registry Number: 1635270 Numero EC: 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

Ice chest + Ice pads,FedEx DG Service

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528773560
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC(=C(C=C1)S)S
• WGK Germania: 3
• RTECS: XT2275000
• Numero UN: 2810
• Peso molecolare: 156.27
• Beilstein: 1635270
• Reaxy-Rn: 1635270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Benzene,Chloroform
• Sensibilità: Air sensitive.
• Punto di congelamento (°C): 30 °C
• Punto di infiammabilità (°F): 235.4℉
• Punto di infiammabilità (°C): 113°C
• Punto di ebollizione (°C): 185°C
• Punto di fusione (°C): 27°C
• Peso molecolare: 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