2-Phenyl-1,2-benzoselenazol-3(2H)-one | CAS No. 60940-34-3

2-Phenyl-1,2-benzoselenazol-3(2H)-one

Basic Information

CAS Number

60940-34-3

Molecular Formula

C13H9NOSe

Molecular Weight

274.18 g/mol

AD

Basic Physical Properties

Melting Point

181.0 to 185.0 deg-C

Boiling Point

402.8±28.0 °C at 760 mmHg

Flash Point

197.4±24.0 °C

Solubility

Soluble in ethanol, methanol, acetone, acetonitrile.

Vapor Pressure

No data available

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChI

InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

InChIKey

DYEFUKCXAQOFHX-UHFFFAOYSA-N

LogP

2.0477

Topological Polar Surface Area

22.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

275

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H331 Toxic if inhaled
Acute toxicity, inhalation
H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • ebselen
  • Ebseleno
  • SBI-0050524.P003
  • DTXCID5025150
  • Ebselenum [Latin]
  • 2-phenyl-1,2-benzoisoselenazole-3-(2H)-one
  • EX-A1447
  • HY-13750
  • SAM001247071
  • 2-phenyl-1,2-benzisoselazol-3(2H)-one
  • MLS001424261
  • 2-Phenyl-1,2-benzisoselenazolin-3-one
  • nchembio.109-comp1
  • BDBM34233
  • NCGC00015412-08
  • MFCD00210937
  • KBio3_001758
  • NCGC00015412-21
  • DTXSID7045150
  • Prestwick0_000740
  • NCGC00015412-06
  • Pharmakon1600-01501188
  • KBioSS_000062
  • AB00053217
  • NCGC00015412-04
  • EBSELEN [JAN]
  • NSC757883
  • HMS1989D04
  • QTL1_000035
  • Bio2_000542
  • KBio1_000951

MDL Number

MFCD00210937

Customs Code

2927000090

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