331761-46-7

Name 4-CHLORO-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDINE
CAS 331761-46-7
Molecular Formula C12H6Cl2N2S
MDL Number MFCD01038375
Molecular Weight 281.16
MOL File 331761-46-7.mol
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Chemical Properties

Melting point  139.5-141℃
Boiling point  443.1±45.0 °C(Predicted)
density  1.490±0.06 g/cm3(Predicted)
form  solid
pka 0.10±0.40(Predicted)
InChI 1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChIKey QDMQHIKVIOWCGY-UHFFFAOYSA-N
SMILES ClC1=NC=NC2=C1C(C(C=C3)=CC=C3Cl)=CS2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2

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