Product Name

  • Name

    SU 5416

  • EINECS 200-256-5
  • CAS No. 204005-46-9
  • Article Data2
  • CAS DataBase
  • Density 1.256 g/cm3
  • Solubility H2O: insoluble
  • Melting Point 226-228 °C
  • Formula C15H14N2O
  • Boiling Point 481.4 °Cat760mmHg
  • Molecular Weight 238.289
  • Flash Point 244.9 °C
  • Transport Information
  • Appearance yellow to yellow orange
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 204005-46-9 (SU 5416)
  • Hazard Symbols IrritantXi
  • Synonyms H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-;Semaxinib;SU5416;SU 5416;
  • PSA
  • LogP

SU 5416 Chemical Properties

IUPAC Name: (3Z)-3-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one 
Following is the structure of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CAS NO.204005-46-9):
                    
Empirical Formula: C15H14N2O
Molecular Weight: 238.2845
Index of Refraction: 1.683
Molar Refractivity: 72.02 cm3
Molar Volume: 189.7 cm3
Density: 1.256 g/cm3
Flash Point: 244.9 °C
Storage temp.: −20 °C
Solubility: H2O: insoluble
Polarizability: 28.55 10-24cm3
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 74.61 kJ/mol
Boiling Point: 481.4 °C at 760 mmHg
Vapour Pressure: 2E-09 mmHg at 25 °C
Appearance of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CAS NO.444731-52-6): yellow to yellow orange
Canonical SMILES: CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
Isomeric SMILES: CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3NC2=O)C
InChI: InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
InChIKey: WUWDLXZGHZSWQZ-WQLSENKSSA-N

SU 5416 Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

SU 5416 Specification

 (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one , its cas register number 204005-46-9. It also can be called (3Z)-3-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one .

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