3,5-dithia-4-thioxo-1,7-heptanedioic acid

3,5-dithia-4-thioxo-1,7-heptanedioic acid - Names and Identifiers

Name	Bis(carboxymethyl) trithiocarbonate
Synonyms	AKOS BBS-00000843 TIMTEC-BB SBB000667 (Thiocarbonyl)bisthiodiacetic acid BIS(CARBOXYMETHYL) TRITHIOCARBONATE Bis(carboxymethyl) trithiocarbonate [(Thiocarbonyl)bisthio]diacetic acid 3,5-dithia-4-thioxo-1,7-heptanedioic acid 2,2'-(carbonothioyldisulfanediyl)diacetate TRITHIOCARBONIC ACID BIS(CARBOXYMETHYL) ESTER 2,2'-(carbonothioyldisulfanediyl)diacetic acid (([(CARBOXYMETHYL)SULFANYL]CARBOTHIOYL)SULFANYL)ACETIC ACID
CAS	6326-83-6
EINECS	228-693-7
InChI	InChI=1/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)/p-2
InChIKey	GQECANUIPBFPLA-UHFFFAOYSA-N

3,5-dithia-4-thioxo-1,7-heptanedioic acid - Physico-chemical Properties

Molecular Formula	C5H6O4S3
Molar Mass	226.29
Density	1.513 (estimate)
Melting Point	172-175 °C (lit.)
Boling Point	337.91°C (rough estimate)
Flash Point	275.9°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	9.26E-13mmHg at 25°C
Appearance	solid
Color	Yellow
BRN	1785452
pKa	2.53±0.10(Predicted)
Storage Condition	-20°C Freezer, Under inert atmosphere
Refractive Index	1.4360 (estimate)
MDL	MFCD00004357

3,5-dithia-4-thioxo-1,7-heptanedioic acid - Risk and Safety

Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29309099

3,5-dithia-4-thioxo-1,7-heptanedioic acid - Introduction

Bis(carboxymethyl) trithiocarbonate is an organic sulfur compound with the chemical formula C5H6O6S3. The following is an introduction to some of its properties, uses, methods and safety information:

Nature:
- Bis(carboxymethyl) trithiocarbonate exists as a white solid with a melting point in the range of 160-165 degrees Celsius.
-It is insoluble in water, but soluble in some organic solvents (such as ethanol, dimethyl sulfoxide, etc.).

Use:
- Bis(carboxymethyl) trithiocarbonate can be used as a crosslinking agent for sulfur compounds, mainly used to increase the cold resistance of rubber and plastics and improve their mechanical properties.
-It is also used as a carrier of metal ions for the synthesis of metal thiol complexes.

Preparation Method:
- Bis(carboxymethyl) trithiocarbonate can be synthesized by carboxymethylation reaction. A common method of preparation is the reaction of a trithiocarbonate with chloroacetic acid or its sodium salt under alkaline conditions.

Safety Information:
- Bis(carboxymethyl) trithiocarbonate have not been exhaustively studied for toxicity and therefore should be handled with caution.
-Wear laboratory personal protective equipment such as gloves, goggles, and lab coats to protect skin and eyes when using or handling the compound.
-Avoid inhaling its dust or vapor to avoid adverse effects on the respiratory system.
-When using Bis(carboxymethyl) trithiocarbonate, it should be operated in a well-ventilated laboratory environment to avoid its leakage into the environment.

Last Update：2024-04-10 22:29:15