950194-37-3

Name (-)-Benzotetramisole
CAS 950194-37-3
Molecular Formula C15H12N2S
MDL Number MFCD15072149
Molecular Weight 252.33
MOL File 950194-37-3.mol
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Chemical Properties

Melting point  93.0 to 97.0 °C
Boiling point  428.1±48.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 7.53±0.40(Predicted)
color  White to Almost white
InChI InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2/t12-/m1/s1
InChIKey YGCWPCVAVSIFLO-GFCCVEGCSA-N
SMILES S1C2=CC=CC=C2N2C[C@H](C3=CC=CC=C3)N=C12
CAS DataBase Reference 950194-37-3

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HS Code  2934999090

Spectrum Detail

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