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Cyclopentanone-2-carbonitrile

  • Name Cyclopentanone-2-carbonitrile
  • EINECSN/A
  • CAS No. 2941-29-9
  • Density1.084 g/cm3
  • PSA40.86000
  • LogP0.87918
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H7NO
  • Boiling Point258 °C at 760 mmHg
  • Molecular Weight109.128
  • Flash Point109.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2941-29-9 (CYCLOPENTANONE-2-CARBONITRILE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data21

Cyclopentanone-2-carbonitrile Specification

This chemical is called Cyclopentanecarbonitrile, 2-oxo-, and its CAS registry number is 2941-29-9. With the molecular formula of C6H7NO, its molecular weight is 109.13. Additionally, its product categories are Pharmacetical.

Other characteristics of the Cyclopentanecarbonitrile, 2-oxo- can be summarised as followings: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 40.86 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 27.81 cm3; (9)Molar Volume: 100.6 cm3; (10)Polarizability: 11.02×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 109.9 °C; (14)Enthalpy of Vaporization: 49.56 kJ/mol; (15)Boiling Point: 258 °C at 760 mmHg; (16)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#CC1C(=O)CCC1
2.InChI: InChI=1/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2
3.InChIKey: IPMQSLPLJDKUPI-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 126mg/kg (126mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
Link to PubMed

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