S-(Thiobenzoyl)thioglycolic acid , 99% , 942-91-6

Synonym(s):
(Thiobenzoylthio)acetic acid;Dithiobenzoic acid carboxymethyl ester;Thiobenzoylmercaptoacetic acid

CAS NO.：942-91-6

Empirical Formula: C9H8O2S2

Molecular Weight: 212.29

MDL number: MFCD00004927

EINECS: 213-393-0

PRODUCT Properties

• Melting point: 125-127 °C(lit.)
• Boiling point: 375.5±44.0 °C(Predicted)
• Density: 1.379±0.06 g/cm3(Predicted)
• storage temp.: Store below +30°C.
• solubility: acetone: soluble25mg/mL, clear
• pka: 2.91±0.10(Predicted)
• form: powder to crystal
• color: Orange to Brown to Dark red
• InChI: 1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
• InChIKey: XBEIANFIOZTEDE-UHFFFAOYSA-N
• SMILES: OC(=O)CSC(=S)c1ccccc1
• CAS DataBase Reference: 942-91-6(CAS DataBase Reference)

Description and Uses

S-(Thiobenzoyl)thioglycolic acid ((thiobenzoylthio)acetic acid) was employed as reversible addition-fragmentation chain transfer (RAFT) agent during the copolymerization of styrene and divinylbenzene. It was also employed as chain-transfer agent for the RAFT polymerizations of styrene, methyl methacrylate and butyl acrylate.
It may be used to synthesize the following:

• N-Thiobenzoyl-DL-threonine ethyl ester by reacting with DL-threonine.
• Thiobenzoic acid O-esters by reacting with alkoxides.
• N-Thiobenzoylamino acids by reacting with amino acids.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3335
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29309070
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2