Benzo[<i>cd</i>]indol-2(1<i>H</i>)-one , >96.0%(HPLC) , 130-00-7

Synonym(s):
NSC 25094

CAS NO.：130-00-7

Empirical Formula: C11H7NO

Molecular Weight: 169.18

MDL number: MFCD00009748

EINECS: 204-973-4

PRODUCT Properties

• Melting point: 173-178 °C(lit.)
• Boiling point: 298.46°C (rough estimate)
• Density: 1.1616 (rough estimate)
• vapor pressure: 0.61-7.2Pa at 100-130℃
• refractive index: 1.4900 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: methanol: soluble25mg/mL, clear to slightly hazy, yellow to brown
• pka: 13.27±0.20(Predicted)
• form: Powder
• color: Light orange to Yellow to Green
• InChI: InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
• InChIKey: GPYLCFQEKPUWLD-UHFFFAOYSA-N
• SMILES: N1C2=C3C(C=CC=C3C1=O)=CC=C2
• LogP: 2.5 at 24℃ and pH6.6
• CAS DataBase Reference: 130-00-7(CAS DataBase Reference)
• EPA Substance Registry System: Benz[cd]indol-2(1H)-one (130-00-7)

Description and Uses

• ;Reactant in photo-Fries rearrangement1• ;Reactant in preparation of potential antitumor agents2• ;Reactant in synthesis of inhibitors of thymidylate synthase3

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312+P330-P501
• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 24/25
• WGK Germany: 2
• RTECS: DE3202000
• HS Code: 29337900
• Toxicity: mammal (species unspecified),LD50,oral,2700mg/kg (2700mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 82, 1986.