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39830-66-5

Name Methyl indole-4-carboxylate
CAS 39830-66-5
EINECS(EC#) 622-802-5
Molecular Formula C10H9NO2
MDL Number MFCD00191222
Molecular Weight 175.18
MOL File 39830-66-5.mol
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Chemical Properties

Appearance off-white to green crystalline powder
Melting point  68-71 °C(lit.)
Boiling point  306.47°C (rough estimate)
density  1.1999 (rough estimate)
refractive index  1.5060 (estimate)
storage temp.  0-6°C
solubility  soluble in Methanol
form  Crystalline Powder
pka 15.80±0.30(Predicted)
color  Off-white to green
Detection Methods GC,NMR
BRN  141826
InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
InChIKey WEAXQUBYRSEBJD-UHFFFAOYSA-N
SMILES N1C2=C(C(C(OC)=O)=CC=C2)C=C1
CAS DataBase Reference 39830-66-5(CAS DataBase Reference)
Storage Precautions Light sensitive

Safety Data

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 .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29339900

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