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Toluene-3,4-dithiol

Toluene-3,4-dithiol structure

CAS No:
496-74-2
Formula:
C7H8S2
Chemical Name:
Toluene-3,4-dithiol
Synonyms:
1,2-Benzenedithiol,4-methyl-;Toluene-3,4-dithiol;4-Methyl-1,2-benzenedithiol;1,2-Dimercapto-4-methylbenzene;Dithiol;4-Methyl-1,2-dimercaptobenzene;3,4-Dimercaptotoluol;3,4-Dimercaptotoluene;3,4-Toluenedithiol;1-Toluene-3,4-dithiol;3,4-Dithiotoluene;NSC 5391;Dithiol (chelating agent)
Categories:
Chemical Reagents > Organic Reagents

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Description

white crystalline powder

Toluene-3,4-dithiol Basic Attributes

Molecular Weight：

156.27

Exact Mass：

156.27

BRN：

1635270

EC Number：

207-828-3

UNII：

U89B11P7SC

NSC Number：

5391

DSSTox ID：

DTXSID7060093

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.28

Appearance：

White to yellow Crystalline Low Melting Solid

Density：

1.2±0.1 g/cm3

Melting Point：

29 °C

Boiling Point：

185-187 °C @ Press: 84 Torr

Flash Point：

>230 °F

Refractive Index：

1.644

Water Solubility：

soluble in benzene and aqueous alkali hydroxide solutions

Storage Conditions：

−20°C

Toxicity：

Abdominal cavity-mouse LD50: 50 mg/kg

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3071

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-36/37/39

RTECS Number：

XT2275000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

dithiol

Toluene-3,4-dithiol Use and Manufacturing

Uses

For the detection of bismuth, molybdenum, rhenium, tin, tungsten, see Bickford et al., J. Am. Pharm. Assoc. Sci. Ed. 37, 255 (1948).

Manufacturing Info：

1,2-Benzenedithiol, 4-methyl-: ACTIVE

Computed Properties

Molecular Weight:156.3
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:156.00674260
Monoisotopic Mass:156.00674260
Topological Polar Surface Area:2
Heavy Atom Count:9
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Toluene-3,4-dithiol

CAS No.: 496-74-2

Grade: Industrial Grade

Content: 99%

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