CAS 2386-25-6|3-Acetyl-2,4-dimethylpyrrole

Introduction：Basic information about CAS 2386-25-6|3-Acetyl-2,4-dimethylpyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	3-Acetyl-2,4-dimethylpyrrole
CAS Number	2386-25-6	Molecular Weight	137.179
Density	1.0±0.1 g/cm3	Boiling Point	250.9±35.0 °C at 760 mmHg
Molecular Formula	C₈H₁₁NO	Melting Point	136-139 °C(lit.)
MSDS	/	Flash Point	112.1±33.4 °C

Names

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

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	250.9±35.0 °C at 760 mmHg
Melting Point	136-139 °C(lit.)
Molecular Formula	C₈H₁₁NO
Molecular Weight	137.179
Flash Point	112.1±33.4 °C
Exact Mass	137.084061
PSA	32.86000
LogP	1.12
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.524
InChIKey	VGZCKCJMYREIKA-UHFFFAOYSA-N
SMILES	CC(=O)c1c(C)c[nH]c1C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OB2885000

CHEMICAL NAME :: Ketone, 2,4-dimethylpyrrol-3-yl methyl

CAS REGISTRY NUMBER :: 2386-25-6

BEILSTEIN REFERENCE NO. :: 0109769

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H11-N-O

MOLECULAR WEIGHT :: 137.20

WISWESSER LINE NOTATION :: T5MJ B1 CV1 D1

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 :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness

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 :: 400 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity)

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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 71 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04669

Safety Information

Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S24/25
WGK Germany	3
RTECS	OB2885000
HS Code	2933990090

Customs

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%

Synonyms

3,5-dimethyl-4-acetylpyrrole

EINECS 219-197-1

2,4-dimethyl-3-acetyl-1H-pyrrole

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

3-Acetyl-2,4-dimethylpyrrole

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

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

KETONE,2,4-DIMETHYLPYRROL-3-YL METHYL

MFCD00005221

2,4-Dimethylpyrrol-3-yl methyl ketone

2,4-dimethyl-3-acetyl pyrrole

2,4-Dimethyl-3-acetylpyrrole

2,4-Dimethyl-3-acetylpyrrol

3-acetyl-2,4-dimethyl-1H-pyrrole

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

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