4513-94-4

Name PYRROLE-2-CARBONITRILE
CAS 4513-94-4
EINECS(EC#) 627-592-9
Molecular Formula C5H4N2
MDL Number MFCD00234061
Molecular Weight 92.1
MOL File 4513-94-4.mol
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Chemical Properties

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

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
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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