4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid

Modify Date: 2024-01-10 14:08:13

4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid Structure
4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid structure
Common Name 4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
CAS Number 15898-26-7 Molecular Weight 215.24800
Density 1.14g/cm3 Boiling Point 383.8ºC at 760mmHg
Molecular Formula C13H13NO2 Melting Point 181-184ºC
MSDS N/A Flash Point 185.9ºC

 Names

Name 4-(2,5-dimethylpyrrol-1-yl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.14g/cm3
Boiling Point 383.8ºC at 760mmHg
Melting Point 181-184ºC
Molecular Formula C13H13NO2
Molecular Weight 215.24800
Flash Point 185.9ºC
Exact Mass 215.09500
PSA 42.23000
LogP 2.79230
Vapour Pressure 1.41E-06mmHg at 25°C
Index of Refraction 1.579

 MSDS

Name: 4-(2 5-Dimethyl-1H-pyrrol-1-yl)benzoic acid 97% Material Safety Data Sheet
Synonym:
CAS: 15898-26-7
Section 1 - Chemical Product MSDS Name:4-(2 5-Dimethyl-1H-pyrrol-1-yl)benzoic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15898-26-7 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: 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# 15898-26-7: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 208 - 210 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: C13H13NO2
Molecular Weight: 215

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, alcohols.
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# 15898-26-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid - 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# 15898-26-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15898-26-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15898-26-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases 36/37/38
Safety Phrases S26
HS Code 2933990090

 Synthetic Route

~99%

4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid Structure

4-(2,5-dimethyl...

CAS#:15898-26-7

Literature: METHYLGENE, INC. Patent: WO2005/30704 A1, 2005 ; Location in patent: Page/Page column 230-231 ;

~%

4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid Structure

4-(2,5-dimethyl...

CAS#:15898-26-7

Literature: Journal of the American Chemical Society, , vol. 66, p. 840

~%

4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid Structure

4-(2,5-dimethyl...

CAS#:15898-26-7

Literature: Journal of the American Chemical Society, , vol. 66, p. 840

~%

4-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid Structure

4-(2,5-dimethyl...

CAS#:15898-26-7

Literature: Journal of the American Chemical Society, , vol. 66, p. 840

 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

MFCD00453921
2,5-Dimethyl-N-4'-carboxyphenyl-pyrrol
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