1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone

Modify Date: 2024-01-09 12:19:50

1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone structure	Common Name	1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
	CAS Number	1500-92-1	Molecular Weight	179.21600
	Density	1.097g/cm3	Boiling Point	346.8ºC at 760mmHg
	Molecular Formula	C₁₀H₁₃NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	167.6ºC

Name	1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Synonym	More Synonyms

Density	1.097g/cm3
Boiling Point	346.8ºC at 760mmHg
Molecular Formula	C₁₀H₁₃NO₂
Molecular Weight	179.21600
Flash Point	167.6ºC
Exact Mass	179.09500
PSA	49.93000
LogP	2.03670
Vapour Pressure	5.62E-05mmHg at 25°C
Index of Refraction	1.529

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9455000

CHEMICAL NAME :: Pyrrole, 2,4-diacetyl-3,5-dimethyl-

CAS REGISTRY NUMBER :: 1500-92-1

BEILSTEIN REFERENCE NO. :: 0134077

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H13-N-O2

MOLECULAR WEIGHT :: 179.24

WISWESSER LINE NOTATION :: T5MJ BV1 C1 DV1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968

HS Code	2933990090

2,4-Pentandione

CAS#:123-54-6

2,3,4-Pentanetr...

CAS#:29917-12-2

1-(5-acetyl-2,4...

CAS#:1500-92-1

Literature: Treibs et al. Chemische Berichte, 1957 , vol. 90, p. 79,81

2,4-Pentandione

CAS#:123-54-6

Hydroxylamine-O...

CAS#:2950-43-8

1-(5-acetyl-2,4...

CAS#:1500-92-1

Literature: The Wellcome Foundation Ltd.; University College Cardiff Consultants Limited Patent: US5679694 A1, 1997 ;

2,4-Pentandione

CAS#:123-54-6

1-(5-acetyl-2,4...

CAS#:1500-92-1

Literature: Zanetti Gazzetta Chimica Italiana, 1893 , vol. 23, p. II 300

acetic acid

CAS#:64-19-7

2,4-Pentandione

CAS#:123-54-6

1-(5-acetyl-2,4...

CAS#:1500-92-1

Literature: Fischer; Neber Justus Liebigs Annalen der Chemie, 1932 , vol. 496, p. 1,25

Precursor 4
CAS#:123-54-6 2,4-Pentandione CAS#:29917-12-2 2,3,4-Pentanetr... CAS#:2950-43-8 Hydroxylamine-O... CAS#:64-19-7 acetic acid
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)-ethanone

2,4-Diacetyl-3,5-dimethyl-pyrrol

Pyrrole,2,4-diacetyl-3,5-dimethyl

1,1'-(3,5-dimethyl-pyrrole-2,4-diyl)-bis-ethanone

2,4-diacetyl-3,5-dimethyl-pyrrole

1,1'-(3,5-dimethyl-1H-pyrrole-2,4-diyl)diethanone

2,4-diacetyl-3,5-dimethyl-1H-pyrrole

1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms