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6314-22-3

6314-22-3 structure
6314-22-3 structure

Name Ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Synonyms PYRROLE-3-CARBOXYLIC ACID,5-ACETYL-2,4-DIMETHYL-,ETHYL ESTER
2,4-Dimethyl-5-acetyl-pyrrol-carbonsaeure-(3)-ethylester
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
3,5-Dimethyl-2-acetyl-4-ethoxycarbonyl-pyrrol
5-Acetyl-2,4-dimethyl-pyrrol-3-carbonsaeure-aethylester
5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
Density 1.123g/cm3
Boiling Point 379.6ºC at 760 mmHg
Molecular Formula C11H15NO3
Molecular Weight 209.24200
Flash Point 183.4ºC
Exact Mass 209.10500
PSA 59.16000
LogP 2.01080
Index of Refraction 1.521
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CAS number:6314-22-3

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C11H15NO3
Molecular weight:209.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9371100
CHEMICAL NAME :
Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester
CAS REGISTRY NUMBER :
6314-22-3
BEILSTEIN REFERENCE NO. :
0160846
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H15-N-O3
MOLECULAR WEIGHT :
209.27
WISWESSER LINE NOTATION :
T5MJ BV1 C1 DVO2 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS 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
HS Code 2933990090

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Literature: Journal of the American Chemical Society, , vol. 55, p. 4167,4169, 4173

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Literature: DE395092 ; Chemische Berichte, , vol. 55, p. 2395

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Literature: Gazzetta Chimica Italiana, , vol. 24 I, p. 551

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Literature: Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 121, p. 146

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Literature: Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 128, p. 247

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Literature: Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 155, p. 109

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Literature: Chemische Berichte, , vol. 87, p. 1163,1166
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%