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4815-29-6

Name 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
CAS 4815-29-6
Molecular Formula C10H13NO2S
MDL Number MFCD00102063
Molecular Weight 211.28
MOL File 4815-29-6.mol

Chemical Properties

Appearance light yellow to beige-brown crystalline powder
Melting point  90-94 °C
Boiling point  386.8±42.0 °C(Predicted)
density  1.2079 (rough estimate)
refractive index  1.6800 (estimate)
storage temp.  2-8°C(protect from light)
pka 0.53±0.20(Predicted)
Detection Methods HPLC,NMR
InChI InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChIKey BOJXCJDYZJSPMZ-UHFFFAOYSA-N
SMILES C12CCCC=1C(C(OCC)=O)=C(N)S2
CAS DataBase Reference 4815-29-6(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
Safety Statements 
S22:Do not breathe dust .
HazardClass  IRRITANT
HS Code  29349990

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