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1,3,5-Triisothiocyanatobenzene
[CAS# 101670-67-1]

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Identification
Name 1,3,5-Triisothiocyanatobenzene
Synonyms 3-13-00-00555 (Beilstein Handbook Reference); Brn 3293763; Isothiocyanic Acid, S-Phenenyl Ester
Molecular Structure CAS#: 101670-67-1, 1,3,5-Triisothiocyanatobenzene
Molecular Formula C9H3N3S3
Molecular Weight 249.32
CAS Registry Number 101670-67-1
SMILES S=C=NC1=CC(=CC(=C1)N=C=S)N=C=S
InChI 1S/C9H3N3S3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-3H
InChIKey LLJPDGVAIMDGFS-UHFFFAOYSA-N
Properties
Density 1.318g/cm3 (Cal.)
Boiling point 475.333°C at 760 mmHg (Cal.)
Flash point 262.228°C (Cal.)
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