13691-26-4

13691-26-4 structure
13691-26-4 structure
  • Name: 1-(4-Nitrophenyl)-2-pyrrolidinone
  • Chemical Name: 1-(4-nitrophenyl)pyrrolidin-2-one
  • CAS Number: 13691-26-4
  • Molecular Formula: C10H10N2O3
  • Molecular Weight: 206.19800
  • Create Date: 2018-12-21 17:59:15
  • Modify Date: 2024-01-08 21:47:36

Name 1-(4-nitrophenyl)pyrrolidin-2-one
Synonyms 1-(4'-NO2-phenyl)-2-pyrrolidinone
1-(4-Nitro-phenyl)-pyrrolidin-2-on
1-(p-Nitrophenyl)-2-pyrrolidinon
nitrophenylpyrrolidinone
1-(4-nitrophenyl)-pyrrolidin-2-one
1-(4-nitrophenyl)-2-pyrrolidinone
Density 1.353 g/cm3
Boiling Point 477.8ºC at 760 mmHg
Melting Point 128-130ºC
Molecular Formula C10H10N2O3
Molecular Weight 206.19800
Flash Point 242.8ºC
Exact Mass 206.06900
PSA 66.13000
LogP 2.30980
Vapour Pressure 2.71E-09mmHg at 25°C
Index of Refraction 1.614
Name: 1-(4-Nitrophenyl)-2-Pyrrolidinone 99+%(GC) Material Safety Data Sheet
Synonym: None Known
CAS: 13691-26-4
Section 1 - Chemical Product MSDS Name:1-(4-Nitrophenyl)-2-Pyrrolidinone 99+%(GC) Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13691-26-4 1-(4-Nitrophenyl)-2-Pyrrolidinone 99+% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13691-26-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 128 - 130 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10N2O3
Molecular Weight: 206.20

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13691-26-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Nitrophenyl)-2-Pyrrolidinone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 13691-26-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13691-26-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13691-26-4 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 24/25
HS Code 2933790090

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Literature: Yang, Yong-Hua; Shi, Min Journal of Organic Chemistry, 2005 , vol. 70, # 21 p. 8645 - 8648

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Literature: Tetrahedron, , vol. 44, p. 3025

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Literature: Justus Liebigs Annalen der Chemie, , vol. 596, p. 1,204

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Literature: Tetrahedron, , vol. 44, p. 3025

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Literature: Journal of Physical Organic Chemistry, , vol. 15, # 3 p. 165 - 173

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Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 1243 - 1250

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Literature: WO2004/101557 A1, ; Page/Page column 31 ;
HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%