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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5708Generated: November 2, 2026

Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate

P-XSC · Ccris 6548 · Brn 3283843 · P-XYLENESELENOCYANATE · 1,4-Bis(selenocyanatomethyl)benzene · phenylenebis(methylene)selenocyanate · 1,4-PHENYLENEBIS(METHYLENE)SELENOCYANATE · selenocyanicacid,1,4-phenylenebis(methylene)ester

https://huagongshe.com/en/chemical/5708

Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate molecular structure

Identifiers & Physical Properties

CAS No.85539-83-9
Molecular formulaC10H8N2Se2
Average molar mass314.1 g/mol
Monoisotopic mass315.90179086 g/mol
SMILESN#C[Se]Cc1ccc(C[Se]C#N)cc1
InChIKeyQFTBWTJGZHUOAW-UHFFFAOYSA-N
PubChem CID5708
ChEMBLCHEMBL113478
DTXSIDDTXSID701006101

Chemical & Physical Properties

Topological polar surface area47.6
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds4
Heavy atoms14
Formal charge0
Complexity224
Melting point154 °C
Boiling point430.2±55.0 °C(Predicted)
FDA UNIIQ22S9Y993E

Applications & Uses

Uses

p-Xyleneselenocyanate is a synthetic organoselenium chemopreventive agent.