| Identification | More | [Name]
PYRROLE-2-CARBONITRILE | [CAS]
4513-94-4 | [Synonyms]
1H-PYRROLE-2-CARBONITRILE
2-CYANOPYRROLE
PYRROLE-2-CARBONITRILE
Pyrrole-2-carbonitrile,99%
2-CARBONITRILEPYRROLE
2-Cyanopyrrole ,99%
2-Cyano-1H-pyrrole | [EINECS(EC#)]
627-592-9 | [Molecular Formula]
C5H4N2 | [MDL Number]
MFCD00234061 | [Molecular Weight]
92.1 | [MOL File]
4513-94-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow to orange liquid | [Boiling point ]
92-94 °C/2 mmHg | [density ]
1,086 g/cm3 | [refractive index ]
1.5475-1.5505
| [Fp ]
92-94°C/2mm | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
Miscible with benzene, dichloromethane, tertrahydrofuran, dimethylformamide and acetonitrile. | [form ]
Liquid | [pka]
14.18±0.50(Predicted) | [color ]
Clear yellow to orange | [Sensitive ]
Air & Light Sensitive | [Detection Methods]
GC,NMR,MS | [BRN ]
107047 | [InChI]
InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H | [InChIKey]
BQMPGKPTOHKYHS-UHFFFAOYSA-N | [SMILES]
N1C=CC=C1C#N | [CAS DataBase Reference]
4513-94-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN3276 | [WGK Germany ]
3 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow to orange liquid | [Uses]
Pyrrole-2-carbonitrile is a reagent that is used to prepare heteroaryl-azabicycloheptane which is a new class of triple re-uptake inhibitors. | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 59, p. 2673, 1981 DOI: 10.1139/v81-384
Tetrahedron, 39, p. 3881, 1983 DOI: 10.1016/S0040-4020(01)90890-7 | [General Description]
Product is a liquid and not a solid |
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