Dibenzyl carbonotrithioate

Basic Information

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CAS Number

26504-29-0

Molecular Formula

C15H14S3

Molecular Weight

290.48 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

29-33 °C

Boiling Point

469°C at 760 mmHg

Solubility

Insuluble (1.1E-4 g/L) (25 ºC),

Refractive Index

1.683

SMILES

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C1=CC=C(C=C1)CSC(=S)SCC2=CC=CC=C2

InChI

InChI=1S/C15H14S3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

LAKYXBYUROTWBI-UHFFFAOYSA-N

LogP

5.138100000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

216

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

moisture sensitive, store cold

Synonyms & References

English

AKOS025243359
MFCD12911902
Carbonotrithioic acid,bis(phenylmethyl)ester
NSC-33081
BBA50429
S,S-Dibenzyl trithiocarbonate
S,S-DIBENZYLTRITHIOCARBONATE
AS-67202
bis(benzylsulfanyl)methanethione
NS00077836
NSC 33081
Carbonotrithioic acid, bis(phenylmethyl) ester
26504-29-0
dibenzyl carbonotrithioate
NSC33081
SCHEMBL161188
DTXSID60885355
S,S-Dibenzyl trithiocarbonate, 97%
dibenzylcarbonotrithioate
dibenzyl trithiocarbonate
Carbonotrithioic acid,bis(phenylmethyl) ester
trithiocarbonic acid dibenzyl ester
Carbonic acid, trithio-, dibenzyl ester
DBTTC
Carbonotrithioic acid bis(phenylmethyl) ester
Dibenzyltrithiocarbonate
Trithiocarbonic acid dibenzyl
TRA0025325
SC10809
Dibenzyl carbonotrithioate
S,S-Dibenzyl Trithiocarbonate

MDL Number

MFCD12911902

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Dibenzyl carbonotrithioate (CAS: 26504-29-0)?

Dibenzyl carbonotrithioate is a colorless or white crystalline solid with a molecular weight of approximately 308.34 g/mol. It has a low solubility in water but is readily soluble in organic solvents. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions.

How is Dibenzyl carbonotrithioate (CAS: 26504-29-0) typically synthesized?

Dibenzyl carbonotrithioate can be synthesized by reacting benzyl thiocyanate with thiophosgene in the presence of a base. The reaction is typically carried out in a solvent such as methylene chloride, and the yield is usually around 75-85%.

What industries use Dibenzyl carbonotrithioate (CAS: 26504-29-0)?

Dibenzyl carbonotrithioate is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of certain drugs, and in the production of polymers and sensors. It also finds applications in the development of semiconductors.

What precautions should be taken when handling Dibenzyl carbonotrithioate (CAS: 26504-29-0)?

When handling Dibenzyl carbonotrithioate, it is essential to use appropriate personal protective equipment, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of fumes. In case of a spill, neutralize the area using an appropriate chemical and follow local safety protocols for disposal. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.