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1530-88-7

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Basic Information
CAS No.: 1530-88-7
Name: 1-Cyanopyrrolidine
Article Data: 21
Molecular Structure:
Molecular Structure of 1530-88-7 (1-Cyanopyrrolidine)
Formula: C5H8 N2
Molecular Weight: 96.1319
Synonyms: 1-Cyanopyrrolidine;1-Pyrrolidinecyanamide; 1-Pyrrolidinylcyanamide; N-Cyanopyrrolidine; NSC 44225;Pyrrolidinocarbonitrile; Tetramethylenecyanamide
EINECS: 216-234-3
Density: 0.954 g/mL at 25 °C(lit.)
Melting Point: 196 - 198oC
Boiling Point: 75-77 °C1.8 mm Hg(lit.)
Flash Point: 225 °F
Hazard Symbols:
Risk Codes: 20/21/22
Safety: 36
PSA: 27.03000
LogP: 0.50118
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Chemistry

Molecule structure of 1-Cyanopyrrolidine (CAS NO.1530-88-7):

IUPAC Name: Pyrrolidine-1-carbonitrile 
Molecular Weight: 96.13042 [g/mol]
Molecular Formula: C5H8N2 
Index of Refraction: 1.492
Molar Refractivity: 26.97 cm3
Molar Volume: 92.8 cm3
Surface Tension: 42 dyne/cm
Density: 1.03 g/cm3
Flash Point: 107.2 °C
Enthalpy of Vaporization: 47.23 kJ/mol
Boiling Point: 235.5 °C at 760 mmHg
Vapour Pressure: 0.0498 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Acceptor: 2
Exact Mass: 96.068748
MonoIsotopic Mass: 96.068748
Topological Polar Surface Area: 27
Heavy Atom Count: 7
Canonical SMILES: C1CCN(C1)C#N
InChI: InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChIKey: QJRYYOWARFCJQZ-UHFFFAOYSA-N
EINECS: 216-234-3
Product Categories of 1-Cyanopyrrolidine (CAS NO.1530-88-7): Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Pyrrole&Pyrrolidine&Pyrroline

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36 
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful

Specification

 1-Cyanopyrrolidine (CAS NO.1530-88-7) is also named as 1-Pyrrolidinecarbonitrile ; N-Cyanopyrrolidine ; Pyrrolidine-1-carbonitrile .