ChemicalBook--->CAS DataBase List--->103-04-8

103-04-8

103-04-8 Structure

103-04-8 Structure
IdentificationMore
[Name]

(PHENYLTHIO)ACETIC ACID
[CAS]

103-04-8
[Synonyms]

2-PHENYLSULFANYLACETIC ACID
(PHENYLMERCAPTO)ACETIC ACID
(PHENYLSULFANYL)ACETIC ACID
(PHENYLTHIO)ACETIC ACID
RARECHEM AL BO 0363
S-PHENYLTHIOGLYCOLIC ACID
THIOPHENOXYACETIC ACID
(phenylthio)acetic
(S-Phenylmercapto)aceticacid
2-(Phenylthio)aceticacid
Aceticacid,(phenylthio)-
Carboxymethylphenylsulfide
Phenylthioglycolicacid
S-Phenylmercaptoaceticacid
α-Carboxythioanisole
Phenylmercaptoaceticacid~S-Phenylthioglycolicacid~Thiophenoxyaceticacid
2-phenylethanethioic O-acid
[EINECS(EC#)]

203-073-9
[Molecular Formula]

C8H8O2S
[MDL Number]

MFCD00004355
[Molecular Weight]

168.21
[MOL File]

103-04-8.mol
Chemical PropertiesBack Directory
[Melting point ]

60-63 °C (lit.)
[Boiling point ]

314.4±25.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

almost transparency in Methanol
[form ]

powder to crystal
[pka]

3.70±0.10(Predicted)
[color ]

White to Light yellow
[BRN ]

2045072
[Cosmetics Ingredients Functions]

ANTIOXIDANT
[InChI]

InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
[InChIKey]

MOTOSAGBNXXRRE-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CSC1=CC=CC=C1
[CAS DataBase Reference]

103-04-8(CAS DataBase Reference)
[EPA Substance Registry System]

103-04-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HazardClass ]

9
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

(Phenylthio)acetic acid is a reactant in the preparation of benzoxazoles, benzimidazoles, and benzothiazoles, which exhibit antimicrobial activity.
[Application]

(Phenylthio)acetic Acid (PTAA) is used for preparation of various PhS-containing compounds, such as 3- or 4-hydroxy-2-(phenylthio)alkanoic acids, 4-oxo-2-(phenylthio)alkanoic acids, and α-phenylthio-β-lactams.
[Preparation]

(Phenylthio)acetic acid is prepared by the substitution reaction of sodium chloroacetate with sodium benzenethiolate, or by the treatment of bromoacetic acid with thallium(I) benzenethiolate.[1]
[References]

1. Detty, M. R.; Wood, G. P. JOC 1980, 45, 80.
Spectrum DetailBack Directory
[Spectrum Detail]

(PHENYLTHIO)ACETIC ACID(103-04-8)MS
(PHENYLTHIO)ACETIC ACID(103-04-8)1HNMR
(PHENYLTHIO)ACETIC ACID(103-04-8)13CNMR
(PHENYLTHIO)ACETIC ACID(103-04-8)IR1
(PHENYLTHIO)ACETIC ACID(103-04-8)IR2
(PHENYLTHIO)ACETIC ACID(103-04-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(Phenylthio)acetic acid, 97%(103-04-8)
[Sigma Aldrich]

103-04-8(sigmaaldrich)
[TCI AMERICA]

(Phenylthio)acetic Acid,>98.0%(T)(103-04-8)
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