3,4-toluenedithiol

Modify Date: 2024-01-12 10:31:15

3,4-toluenedithiol Structure
3,4-toluenedithiol structure
Common Name 3,4-toluenedithiol
CAS Number 496-74-2 Molecular Weight 156.268
Density 1.2±0.1 g/cm3 Boiling Point 265.5±20.0 °C at 760 mmHg
Molecular Formula C7H8S2 Melting Point 30-33 °C(lit.)
MSDS Chinese USA Flash Point 122.8±15.7 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Names

Name Toluene-3,4-dithiol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 265.5±20.0 °C at 760 mmHg
Melting Point 30-33 °C(lit.)
Molecular Formula C7H8S2
Molecular Weight 156.268
Flash Point 122.8±15.7 °C
Exact Mass 156.006744
PSA 77.60000
LogP 3.28
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.644
Stability Stable. Incompatible with strong oxidizing agents, strong bases.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT2275000
CHEMICAL NAME :
Toluene-3,4-dithiol
CAS REGISTRY NUMBER :
496-74-2
BEILSTEIN REFERENCE NO. :
1635270
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H8-S2
MOLECULAR WEIGHT :
156.27
WISWESSER LINE NOTATION :
SHR D1 BSH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22;R37/38;R41
Safety Phrases S26-S36/37/39
RIDADR 3071
WGK Germany 3
RTECS XT2275000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2930909090

 Synthetic Route

~%

3,4-toluenedithiol Structure

3,4-toluenedithiol

CAS#:496-74-2

Literature: Chatterji, Tonika; Gates, Kent S. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 7 p. 1349 - 1352

~%

3,4-toluenedithiol Structure

3,4-toluenedithiol

CAS#:496-74-2

Literature: Goncalves,H. et al. Bulletin de la Societe Chimique de France, 1975 , p. 621 - 627

~%

3,4-toluenedithiol Structure

3,4-toluenedithiol

CAS#:496-74-2

Literature: Houk,J.; Whitesides,G.M. Journal of the American Chemical Society, 1987 , vol. 109, p. 6825

~%

3,4-toluenedithiol Structure

3,4-toluenedithiol

CAS#:496-74-2

Literature: Goncalves,H. et al. Bulletin de la Societe Chimique de France, 1975 , p. 621 - 627

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles36

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Determination of residual arsenic compounds in chicken muscle by ultra-performance liquid chromatography coupled with ultraviolet detection after pre-column derivatization with toluene-3,4-dithiol.

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A simple and sensitive derivatization method using toluene-3,4-dithiol as a derivatization reagent for the simultaneous analysis of seven arsenic compounds (roxarsone, nitarsone, p-arsanilic acid, o-a...

Epidithiol formation by an unprecedented twin carbon-sulfur lyase in the gliotoxin pathway.

Angew. Chem. Int. Ed. Engl. 51(40) , 10064-8, (2012)

Chelate-Thiolate-Coordinate Ligands Modulating the Configuration and Electrochemical Property of Dinitrosyliron Complexes (DNICs).

Chemistry 21 , 16035-46, (2015)

As opposed to the reversible redox reaction ({Fe(NO)2 }(10) reduced-form DNIC [(NO)2 Fe(S(CH2 )3 S)](2-) (1)⇌{Fe(NO)2 }(9) oxidized-form [(NO)2 Fe(S(CH2 )3 S)](-) ), the chemical oxidation of the {Fe(...

 Synonyms

3,4-toluenedithiol
TOLUENE-3,4-DITHIOL
EINECS 207-828-3
MFCD00004844
1,2-Benzenedithiol, 4-methyl-
4-Methyl-1,2-benzenedithiol
3,4-dimercaptotoluene
4-methylbenzene-1,2-dithiol