104-18-7

Name 2-(4-AMINOPHENYLTHIO)ACETIC ACID
CAS 104-18-7
EINECS(EC#) 203-182-1
Molecular Formula C8H9NO2S
MDL Number MFCD00025360
Molecular Weight 183.23
MOL File 104-18-7.mol
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Chemical Properties

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 Data

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

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