Molecular Structure of 2-Acetylpyrrole (CAS NO.1072-83-9):

IUPAC Name: 1-(1H-Pyrrol-2-yl)ethanone 
Molecular Formula: C₆H₇NO
Molecular Weight: 109.13
XLogP3: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 1 
EINECS: 214-016-2 
Index of Refraction: 1.53
Molar Refractivity: 30.71 cm³
Molar Volume: 99.2 cm³
Surface Tension: 41.5 dyne/cm
Density: 1.099 g/cm³
Flash Point: 92.4 °C
Enthalpy of Vaporization: 45.74 kJ/mol
Boiling Point: 220.9 °C at 760 mmHg
Vapour Pressure: 0.11 mmHg at 25 °C
Melting Point: 88-93 °C(lit.)
Water Solubility: 1.76E+04 mg/L at 25 °C
Classification Code: Mutation data
Canonical SMILES: CC(=O)C1=CC=CN1
InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
Appearance: white to beige crystalline powder
Product Categories: Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; API intermediates; Benzenes;Flavor

 2-Acetylpyrrole (CAS NO.1072-83-9) is used as an ingredient in fragrance.

Safety Information of 2-Acetylpyrrole (CAS NO.1072-83-9):
Hazard Codes: Xn,Xi
Risk Statements: 22-37/38-36/37/38 
R22:Harmful if swallowed. 
R37/38:Irritating to respiratory system and skin. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-24/25-36 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: OB5970000
Hazard Note: Harmful
When heated to decomposition emits toxic fumes of NO_x.

 2-Acetylpyrrole (CAS NO.1072-83-9), its Synonyms are 1-(1H-Pyrrol-2-yl)ethanone ; 1-(2-Pyrrolyl)-1-ethanone ; 2-Acetyl-1H-pyrrole ; 2-Pyrrolyl methyl ketone ; 2-Pyrrolylethanone ; Ethanone, 1-(1H-pyrrol-2-yl)- ; Ketone, methyl pyrrol-2-yl ; Methyl pyrrol-2-yl ketone .