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PYRROLE-2-CARBONITRILE CAS NO.4513-94-4
- Min.Order: 1 Gram
- Payment Terms: T/T
- Available Specifications:
- Product Details
Keywords
- Pyrrole-2-carbonitrile(6CI,7CI,8CI)
- 2-Cyanopyrrole
- NSC 106054
Quick Details
- ProName: PYRROLE-2-CARBONITRILE
- CasNo: 4513-94-4
- Molecular Formula: C5H4N2
- Appearance: Liquid
- Application: Pyrrole-2-carbonitrile is a reagent th...
- DeliveryTime: large stock
- PackAge: According to the need to packing
- Port: Shanghai
- ProductionCapacity: 100 Kilogram/Month
- Purity: 97% purity >99% ee
- Storage: Inert atmosphere,Store in freezer, und...
- Transportation: Air,sea and courier
- LimitNum: 1 Gram
- Grade: Industrial Grade,Pharma Grade
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
Details
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