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Name	TOLUENE-3,4-DITHIOL	EINECS	207-828-3
CAS No.	496-74-2	Density	1.179
PSA	77.60000	LogP	2.57240
Solubility	N/A	Melting Point	30-33oC
Formula	C7H8 S2	Boiling Point	135-137 °C17 mm Hg(lit.)
Molecular Weight	156.273	Flash Point	113 ºC
Transport Information	UN 3335	Appearance	white crystalline powder
Safety	Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SO_x. See also SULFIDES and MERCAPTANS.	Risk Codes	R22;R37/38;R41
Molecular Structure		Hazard Symbols
Synonyms	Toluene-3,4-dithiol(6CI,7CI,8CI); 1,2-Dimercapto-4-methylbenzene; 1-Toluene-3,4-dithiol;3,4-Dimercaptotoluene; 3,4-Dimercaptotoluol; 3,4-Dithiotoluene;3,4-Toluenedithiol; 4-Methyl-1,2-benzenedithiol;4-Methyl-1,2-dimercaptobenzene; Dithiol; Dithiol (chelating agent); NSC 5391	Article Data	8

TOLUENE-3,4-DITHIOL Synthetic route

: 5-methyl-2-mercaptobenzenesulfonyl chloride

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
Stage #1: 5-methyl-2-mercaptobenzenesulfonyl chloride With iron In water at 0℃; for 0.5h; Stage #2: With hydrogenchloride In water for 2.5h; Reagent/catalyst; Reflux;	98%

: 57093-52-4
Methoxy-2-benzo-4,5-methyl-7-dithiaphospholan-1,3,2

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
With methanol In benzene at 80℃; for 12h;

: 66086-39-3
2,8-dimethyldibenzotetrathiocin

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
With 2-hydroxyethanethiol In d(4)-methanol; water-d2 at 25℃; Equilibrium constant; phosphate buffer(0.5 mM, pH 7.0);

toluene-disulfonic acid-(3.4)-dichloride: toluene-disulfonic acid-(3.4)-dichloride

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
With hydrogenchloride; tin

: 109988-33-2
7-methyl-1,2,3,4,5-benzopentathiepin

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
With triethylamine; 2-hydroxyethanethiol In chloroform at 25℃; for 0.5h;

: 53827-17-1
dimethyl-(5-methyl-benzo[1,3,2]dithiaphosphol-2-yl)-amine

: 496-74-2
3,4-dimercaptotoluene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzene / 5 h / 20 °C 2: MeOH / benzene / 12 h / 80 °C View Scheme

: 496-74-2
3,4-dimercaptotoluene

: 18993-09-4
methyl 10-oxoundecanoate

: 130891-85-9
methyl 10,10-toluene-3,4-disulphideundecanoate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; acetic acid for 0.25h; Ambient temperature;	99%

: 496-74-2
3,4-dimercaptotoluene

: 559-40-0
octaperfluorocyclopentene

: 110890-06-7
1,1,2,2,3,3-hexafluoro-6-methyl-2,3-dihydro-1H-benzocyclopenta-p-dithiine

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 24h; Ambient temperature;	98%

: 496-74-2
3,4-dimercaptotoluene

: 76098-31-2
N-(4-Nitrobenzoyl)-1-pyrrolidinecarbimidoyl Chloride

: 81322-25-0
N-(5-Methyl-1,3-benzodithiol-2-yliden)-4-nitrobenzamid

Conditions

Conditions	Yield
With triethylamine In 1,2-dimethoxyethane for 24h; Ambient temperature;	98%

: 496-74-2
3,4-dimercaptotoluene

: 1795-48-8
Isopropyl isocyanate

: 4-Methyl-phenylen-1,2-bis(N-isopropylthiolurethan)

Conditions

Conditions	Yield
N-benzyl-trimethylammonium hydroxide In diethyl ether at 20℃; for 2h;	98%

TOLUENE-3,4-DITHIOL Chemical Properties

Product Name: Toluene-3,4-dithiol (CAS NO.496-74-2)

Molecular Formula: C₇H₈S₂
Molecular Weight: 156.27g/mol
Mol File: 496-74-2.mol
Einecs: 207-828-3
Appearance: White crystalline powder
Melting Point: 30-33 °C(lit.)
Boiling point: 265.5 °C at 760 mmHg
Storage Temperature: −20°C
Flash Point: 122.8 °C
Density: 1.179 g/mL at 25 °C(lit.)
Stability: Stable. Incompatible with strong oxidizing agents, strong bases
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 48.31 kJ/mol
Vapour Pressure: 0.015 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 0
Product Categories: Charge Transfer Complexes (Synthetic Intermediates); Charge Transfer Complexes for Organic Metals; Functional Materials; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry

TOLUENE-3,4-DITHIOL Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)		National Technical Information Service. Vol. AD277-689,

TOLUENE-3,4-DITHIOL Consensus Reports

Reported in EPA TSCA Inventory.

TOLUENE-3,4-DITHIOL Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SO_x. See also SULFIDES and MERCAPTANS.
Safety Information of Toluene-3,4-dithiol (CAS NO.496-74-2):
Hazard Codes: Xn
Risk Statements: 22-37/38-41
22: Harmful if swallowed
37: Irritating to the respiratory system
38: Irritating to the skin
41: Risk of serious damage to eyes
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection

TOLUENE-3,4-DITHIOL Specification

Toluene-3,4-dithiol ,its CAS NO. is 496-74-2,the synonyms is 1-Methyl-3,4-dimercaptobenzene ; 1,2-Dimercapto-4-methylbenzene ; 4-Methyl-1,2-benzenedithiol ; 4-Methyl-1,2-dimercaptobenzene ; 3,4-Dimercaptotoluene ; 3,4-Toluenedithiol ; Dithiol .

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