ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE

Modify Date: 2024-01-09 20:58:21

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE Structure
ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE structure
Common Name ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE
CAS Number 5159-70-6 Molecular Weight 243.30100
Density 1.06g/cm3 Boiling Point 366.1ºC at 760mmHg
Molecular Formula C15H17NO2 Melting Point 90-92ºC
MSDS N/A Flash Point 175.2ºC

 Names

Name ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.06g/cm3
Boiling Point 366.1ºC at 760mmHg
Melting Point 90-92ºC
Molecular Formula C15H17NO2
Molecular Weight 243.30100
Flash Point 175.2ºC
Exact Mass 243.12600
PSA 31.23000
LogP 3.27080
Index of Refraction 1.543

 MSDS

Name: Ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, 97% Material Safety Data Sheet
Synonym:
CAS: 5159-70-6
Section 1 - Chemical Product MSDS Name: Ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, 97% Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5159-70-6 Ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)b 97% unlisted
+++++
Hazard Symbols: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.
SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5159-70-6: Personal Protective Equipment
Eyes:
Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 88 - 90 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H17NO2
Molecular Weight: 243
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5159-70-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5159-70-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5159-70-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5159-70-6 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

~%

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE Structure

ETHYL 4-(2,5-DI...

CAS#:5159-70-6

Literature: More, Uttam A.; Joshi, Shrinivas D.; Aminabhavi, Tejraj M.; Gadad, Andanappa K.; Nadagouda, Mallikarjuna N.; Kulkarni, Venkatrao H. European Journal of Medicinal Chemistry, 2014 , vol. 71, p. 199 - 218

~65%

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE Structure

ETHYL 4-(2,5-DI...

CAS#:5159-70-6

Literature: Joshi; More, Yogesh; Vagdevi; Vaidya; Gadaginamath; Kulkarni Medicinal Chemistry Research, 2013 , vol. 22, # 3 p. 1073 - 1089 Title/Abstract Full Text View citing articles Show Details Joshi, Shrinivas D.; More, Uttam A.; Dixit, Sheshagiri R.; Korat, Haresh H.; Aminabhavi, Tejraj M.; Badiger, Aravind M. Medicinal Chemistry Research, 2014 , vol. 23, # 3 p. 1123 - 1147

~%

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE Structure

ETHYL 4-(2,5-DI...

CAS#:5159-70-6

Literature: Schulte; Zinnert Archiv der Pharmazie (Weinheim, Germany), 1953 , vol. 286, p. 452,465

~%

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE Structure

ETHYL 4-(2,5-DI...

CAS#:5159-70-6

Literature: Joshi, Shrinivas D.; More, Uttam A.; Dixit, Sheshagiri R.; Korat, Haresh H.; Aminabhavi, Tejraj M.; Badiger, Aravind M. Medicinal Chemistry Research, 2014 , vol. 23, # 3 p. 1123 - 1147

 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

ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(2,5-dimethylpyrrolyl)benzoate
4-(2,5-Dimethyl-pyrrol-1-yl)-benzoesaeure-aethylester
1-(4-Ethoxycarbonyl-phenyl)-2,5-dimethyl-pyrrol
4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid ethyl ester