CAS No.2941-29-9,CYCLOPENTANONE-2-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2941-29-9
Name:	CYCLOPENTANONE-2-CARBONITRILE
Article Data:	21

Formula:	C₆H₇NO
Molecular Weight:	109.128
Synonyms:	2-Cyano-1-cyclopentanone;2-Cyanocyclopentanone;2-Oxocyclopentane-1-carbonitrile;2-Oxocyclopentanecarbonitrile;NSC 146861;
Density:	1.084 g/cm³
Boiling Point:	258 °C at 760 mmHg
Flash Point:	109.9 °C
Hazard Symbols:	Xi
PSA:	40.86000
LogP:	0.87918

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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