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104-18-7

104-18-7 Structure

104-18-7 Structure
IdentificationMore
[Name]

2-(4-AMINOPHENYLTHIO)ACETIC ACID
[CAS]

104-18-7
[Synonyms]

2-(4-AMINOPHENYLTHIO)ACETIC ACID
(4-AMINOPHENYLTHIO)ACETIC ACID
P-AMINOPHENYLMERCAPTOACETIC ACID
(P-AMINOPHENYLTHIO)ACETIC ACID
P-AMINOTHIOPHENOXYACETIC ACID
S-(4-AMINOPHENYL)THIOGLYCOLIC ACID
S-(P-AMINOPHENYL)MERCAPTOACETIC ACID
S-(P-AMINOPHENYL)THIOGLYCOLIC ACID
4-Aminothiophenoxyacetic acid
Acetic acid, (4-aminophenyl)thio-
[EINECS(EC#)]

203-182-1
[Molecular Formula]

C8H9NO2S
[MDL Number]

MFCD00025360
[Molecular Weight]

183.23
[MOL File]

104-18-7.mol
Chemical PropertiesBack Directory
[Appearance]

light khaki crystalline powder
[Melting point ]

197-203 °C
[Boiling point ]

405.3±25.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Soluble in methanol, acetone, toluene, n-octanol, acetonitrile, ethyl acetate, dichloromethane.
[form ]

Solid
[pka]

3.21±0.10(Predicted)
[color ]

Off-White to Pale Beige
[BRN ]

2720454
[Major Application]

peptide synthesis
[InChI]

1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
[InChIKey]

CTPIHHXCACYCIV-UHFFFAOYSA-N
[SMILES]

Nc1ccc(SCC(O)=O)cc1
[CAS DataBase Reference]

104-18-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[F ]

10-23
[Hazard Note ]

Irritant
[HS Code ]

29309090
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Resp. Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

light khaki crystalline powder
[Uses]

It can react with 2-phenyl-benzo[d][1,3]oxazin-4-one to get 2-(Phenyl-4-(3H)-quinazolyl)-phenyl-4'-mercaptoacetic acid. This reaction needs solvents pyridine and H2O by heating.
[Uses]

Synthetic intermediate for dyes and pharmaceuticals.
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-AMINOPHENYLTHIO)ACETIC ACID(104-18-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-(4-Aminophenylthio)acetic acid, 98%(104-18-7)
[Alfa Aesar]

(4-Aminophenylthio)acetic acid, 97%(104-18-7)
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