PYRROLE-2-CARBONITRILE

Superiority:

Product Name:    PYRROLE-2-CARBONITRILE
Synonyms:    PYRROLE-2-CARBONITRILE;2-CYANOPYRROLE;1H-PYRROLE-2-CARBONITRILE;Pyrrole-2-carbonitrile,99%;2-CARBONITRILEPYRROLE;1H-Pyrrole-2-carbonitrile 98%;2-Cyanopyrrole ,99%;Pyrrole-2-carbonitrile, 98% 1GR
CAS:    4513-94-4
MF:    C5H4N2
MW:    92.1
EINECS:    627-592-9
Product Categories:    Building Blocks;Heterocyclic Building Blocks;Pyrroles
Mol File:    4513-94-4.mol

PYRROLE-2-CARBONITRILE Chemical Properties
Boiling point     92-94 °C/2 mmHg
density     1.081 g/mL at 25 °C
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
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 Information
Hazard Codes     Xn
Risk Statements     20/21/22-41-37/38
Safety Statements     36/37-36/37/39-26
RIDADR     UN3276
WGK Germany     3
HazardClass     6.1
PackingGroup     III
HS Code     29339900
MSDS Information
Provider    Language
ACROS    English
ALFA    English
PYRROLE-2-CARBONITRILE Usage And Synthesis
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
PYRROLE-2-CARBONITRILE Preparation Products And Raw materials
Raw materials    Diethyl ether-->Acetic anhydride-->Benzene-->Hydroxylamine hydrochloride-->Sodium acetate-->Pyrrole-2-carboxaldehyde-->2-azidopyridine-->Pyridine, 2-azido-,1-oxide-->1-(PHENYLSULFONYL)-2-PYRROLECARBONITRILE-->1H-PYRROLE-2-CARBOXAMIDE-->1,2,3,3a-Tetraaza-3aH-indene-->Cyanic acid, 4-acetylphenyl ester (9CI)-->1-(PHENYLSULFONYL)PYRROLE-->PYRROLE-2-CARBOXALDOXIME
Preparation Products    1-Methylpyrrole-2-carbonitrile