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1500-91-0

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Basic Information
CAS No.: 1500-91-0
Name: Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
Molecular Structure:
Molecular Structure of 1500-91-0 (Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI))
Formula: C10H15 N O
Molecular Weight: 165.235
Synonyms: Ketone,4-ethyl-3,5-dimethylpyrrol-2-yl methyl (6CI,7CI,8CI);2-Acetyl-4-ethyl-3,5-dimethylpyrrole; 4-Ethyl-3,5-dimethylpyrrol-2-yl methylketone
Density: 1.003g/cm3
Boiling Point: 288.3°Cat760mmHg
Flash Point: 135.8°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 32.86000
LogP: 2.39650
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    1500-91-0

    Ethanone,1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)

  • Casno:

    1500-91-0

    Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Shanghai, Run-Biotech Co., Ltd is a leading domestic pharmaceutical, biopharmaceutical, and health care products R & D outsourcing services company. As an innovation-driven and customer-focused company, Run Biotech provides a broad and integrated por

    Shanghai fine pharma co., Ltd. is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research a

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    Tel:+86-21-31576854/57171705 / 57171706

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Chemistry

Product Name: 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone (CAS NO.1500-91-0)


Molecular Formula: C10H15NO
Molecular Weight: 165.2322g/mol
Mol File: 1500-91-0.mol
Boiling point: 288.3 °C at 760 mmHg
Flash Point: 135.8 °C
Density: 1.003 g/cm3
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 52.76 kJ/mol
Vapour Pressure: 0.00235 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone (CAS NO.1500-91-0):
  IUPAC Name: 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
  Canonical SMILES: CCC1=C(NC(=C1C)C(=O)C)C
  InChI: InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
  InChIKey: SUAXMKRXTCGJJD-UHFFFAOYSA-N
Product Categories: PYRROLE

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 767mg/kg (767mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.
rat LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.

Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone , its CAS NO. is 1500-91-0, the synonyms are 2-Acetyl-3,5-dimethyl-4-ethyl-pyrrole ; 5-21-07-00264 (Beilstein Handbook Reference) ; BRN 0123442 ; Ketone, 4-ethyl-3,5-dimethylpyrrol-2-yl methyl .