185986-59-8

Name dolaphenine
CAS 185986-59-8
Molecular Formula C11H12N2S
MDL Number MFCD09891473
Molecular Weight 204.29
MOL File 185986-59-8.mol

Chemical Properties

Boiling point  329.1±35.0 °C(Predicted)
density  1.201±0.06 g/cm3(Predicted)
form  solid
pka 6.57±0.44(Predicted)
InChI 1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2
InChIKey ADXGZQRJIYRSGK-UHFFFAOYSA-N
SMILES NC(CC1=CC=CC=C1)C2=NC=CS2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

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