500-12-9

Name DL-GOITRIN
CAS 500-12-9
Molecular Formula C5H7NOS
MDL Number MFCD00015467
Molecular Weight 129.18
MOL File 500-12-9.mol
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Chemical Properties

Melting point  50°
alpha  D31 -70.5° (c = 2 in methanol)
storage temp.  2-8°C
solubility  DMSO: 2mg/mL, clear
form  powder
pka 10.5(at 25℃)
color  white to beige
Optical Rotation [α]/D 85 to 67° (C=1.0g/100mL, CDCl3 )
InChI 1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1
InChIKey UZQVYLOFLQICCT-BYPYZUCNSA-N
SMILES S=C1NC[C@H](C=C)O1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazardous Substances Data 500-12-9(Hazardous Substances Data)

Hazard Information

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