isoxazole-5-carboxylic acid

Modify Date: 2024-01-02 14:50:16

isoxazole-5-carboxylic acid Structure
isoxazole-5-carboxylic acid structure
Common Name isoxazole-5-carboxylic acid
CAS Number 21169-71-1 Molecular Weight 113.072
Density 1.5±0.1 g/cm3 Boiling Point 321.2±15.0 °C at 760 mmHg
Molecular Formula C4H3NO3 Melting Point 144-148 °C(lit.)
MSDS N/A Flash Point 148.1±20.4 °C

 Names

Name 1,2-oxazole-5-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 321.2±15.0 °C at 760 mmHg
Melting Point 144-148 °C(lit.)
Molecular Formula C4H3NO3
Molecular Weight 113.072
Flash Point 148.1±20.4 °C
Exact Mass 113.011292
PSA 63.33000
LogP -0.44
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.517

 MSDS

Name: Isoxazole-5-Carboxylic Acid Material Safety Data Sheet
Synonym: None Known
CAS: 21169-71-1
Section 1 - Chemical Product MSDS Name:Isoxazole-5-Carboxylic Acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21169-71-1 Isoxazole-5-Carboxylic Acid ca. 100 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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
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. Wash mouth out with 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. 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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 21169-71-1: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 141 - 144 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: C4H3NO3
Molecular Weight: 113.0259

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21169-71-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Isoxazole-5-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
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# 21169-71-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21169-71-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21169-71-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S24/25-S25-S24
WGK Germany 3
HS Code 2934999090

 Synthetic Route

~92%

isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Boogaerts, Ine I. F.; Nolan, Steven P. Journal of the American Chemical Society, 2010 , vol. 132, # 26 p. 8858 - 8859

~86%

isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Martins, Marcos A. P.; Flores, Alex F. C.; Bastos, Giovani P.; Sinhorin, Adilson; Bonacorso, Helio G.; Zanatta, Nilo Tetrahedron Letters, 2000 , vol. 41, # 3 p. 293 - 297

~51%

isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Adolphe-Pierre; Menager; Tombret; Verite; Lepage; Lafont Farmaco, 1998 , vol. 53, # 7 p. 513 - 518

~%

isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Synthesis, , vol. NO. 1, p. 69 - 70

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isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Tetrahedron Letters, , vol. 41, # 3 p. 293 - 297

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isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Gazzetta Chimica Italiana, , vol. 79, p. 654,660

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isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Gazzetta Chimica Italiana, , vol. 72, p. 475,481

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isoxazole-5-carboxylic acid Structure

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CAS#:21169-71-1

Literature: Gazzetta Chimica Italiana, , vol. 72, p. 155,162, 458, 466

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

isoxazole-5-carboxylic acid
isoxazol-5-carboxylic acid
F2158-0308
5-Carboxy-1,2-oxazole
MFCD00156151
5-isoxazolylcarboxylic acid
Isoxazol-5-carbonsaeure
1,2-Oxazole-5-carboxylic acid
5-Carboxyisoxazole
5-Isoxazolecarboxylic acid