1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
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1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
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CAS No:
2386-25-6
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Formula:
C8H11NO
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Chemical Name:
1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
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Synonyms:
Ethanone,1-(2,4-dimethyl-1H-pyrrol-3-yl)-;Ketone,2,4-dimethylpyrrol-3-yl methyl;1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone;2,4-Dimethyl-3-acetylpyrrole;3-Acetyl-2,4-dimethylpyrrole;2,4-Dimethylpyrrol-3-yl methyl ketone;NSC 10759;1-(2,4-Dimethyl-1-hydro-pyrrol-3-yl)ethanone;3-Acetyl-2,4-dimethyl-1H-pyrrole;1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one
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CAS No:
Characteristics
32.9
1.12
Light yellow to pink to purple to brown Powder or Crystals
1.0±0.1 g/cm3
139 °C
170-173 °C @ Press: 12 Torr
112.1±33.4 °C
1.524
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Abdominal-rat LD50: 250 mg/kg; Abdominal-mouse LD50: 400 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxide fumes
Safety Information
3
36/37/38
26-36-24/25
OB2885000
Xi
Warehouse ventilated, low temperature and dry
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:137.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:137.084063974
Monoisotopic Mass:137.084063974
Topological Polar Surface Area:32.9
Heavy Atom Count:10
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
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