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Home > Encyclopedia > 1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone

1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone

1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone structure

1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone 

structure
  • CAS No:

    2386-25-6

  • Formula:

    C8H11NO

  • Chemical Name:

    1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Brown to purple crystals or powder

1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone Basic Attributes

137.18

137.18

219-197-1

10759

2933990090

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.

Toxicity

highly toxic

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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