4513-93-3

4513-93-3 structure
4513-93-3 structure
  • Name: 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
  • Chemical Name: 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
  • CAS Number: 4513-93-3
  • Molecular Formula: C7H9NO2
  • Molecular Weight: 139.152
  • Create Date: 2018-08-29 17:29:38
  • Modify Date: 2024-04-01 19:24:21

Name 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
Synonyms 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-
MFCD02681967
Density 1.2±0.1 g/cm3
Boiling Point 318.4±37.0 °C at 760 mmHg
Melting Point 124-126ºC
Molecular Formula C7H9NO2
Molecular Weight 139.152
Flash Point 146.4±26.5 °C
Exact Mass 139.063324
PSA 53.09000
LogP 1.77
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.575
Storage condition 2-8°C
Name: 3 5-Dimethyl-1H-pyrrole-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 4513-93-3
Section 1 - Chemical Product MSDS Name:3 5-Dimethyl-1H-pyrrole-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4513-93-3 3,5-Dimethyl-1H-pyrrole-2-carboxylic a 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# 4513-93-3: 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: beige
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 124.5 - 125.7 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: C7H9NO2
Molecular Weight: 139.15

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4513-93-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dimethyl-1H-pyrrole-2-carboxylic 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# 4513-93-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4513-93-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4513-93-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi
Safety Phrases S24/25
HS Code 2933990090

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4513-93-3 structure

4513-93-3

Literature: Clark, Benjamin R.; O'Connor, Stephen; Fox, Deirdre; Leroy, Jacques; Murphy, Cormac D. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 18 p. 6306 - 6311

~99%

4513-93-3 structure

4513-93-3

Literature: Yon-Hin, Paul; Ian Scott Tetrahedron Letters, 1991 , vol. 32, # 34 p. 4231 - 4234

~%

4513-93-3 structure

4513-93-3

Literature: Fischer; Weiss; Schubert Chemische Berichte, 1923 , vol. 56, p. 1198
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%