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135531-86-1

Name camalexin
CAS 135531-86-1
Molecular Formula C11H8N2S
MDL Number MFCD18451889
Molecular Weight 200.26
MOL File 135531-86-1.mol

Chemical Properties

Boiling point  424.8±47.0 °C(Predicted)
density  1.336±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka 15.49±0.30(Predicted)
color  white to light brown
InChI 1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
InChIKey IYODIJVWGPRBGQ-UHFFFAOYSA-N
SMILES C12=CC=CC=C1NC=C2C3=NC=CS3

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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