21169-71-1 (异恶唑5-甲酸,1,2-oxazole-5-carboxylic acid)

CAS号:
21169-71-1
中文名称:
异恶唑5-甲酸
英文名称:
1,2-oxazole-5-carboxylic acid
分子式:
C4H3NO3
分子量:
113.071521043777

异恶唑5-甲酸(21169-71-1)名称与标识符

名称

中文别名:
异恶唑5-甲酸;异恶唑-5-羧酸;异噁唑-5-甲酸;异恶唑-5-甲酸;异噁唑-5-羧酸;异唑-5-羧酸;
英文别名:
Isoxazole-5-carboxylic acid;1,2-oxazole-5-carboxylic acid;5-Isoxazolecarboxylic Acid;5-Carboxy-1,2-oxazole;5-Carboxyisoxazole;5-isoxazolylcarboxylic acid;F2158-0308;Isoxazol-5-carbonsaeure;isoxazol-5-carboxylic acid;ISOXAZOLE-5-CARBOXYLICACID;PubChem8643;isoxazole-5-carboxylic;isoxazole 5-carboxylic acid;KSC207S2H;MIIQJAUWHSUTIT-UHFFFAOYSA-N;TE6090;EBD511265;EN300-06774;SCHEMBL112293;A815182;21169-71-1;MFCD00156151;isoxazole-5-carbonyl chloride;Isoxazole-5-carboxylic Acid;FT-0627541;SY018290;Z56943419;CS-W000637;W-200213;AM20090179;Isoxazole-5-carboxylic acid, 97%;GEO-01628;AKOS001042457;DTXSID70366185;PS-5358;DB-011149;BBL100210;STL553782;

标识符

MDL:
MFCD00156151
InChIKey:
MIIQJAUWHSUTIT-UHFFFAOYSA-N
Inchi:
1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
SMILES:
O1C(C(=O)O)=CC=N1

异恶唑5-甲酸(21169-71-1)物化性质

实验特性

  • LogP : 0.37280
  • PSA : 63.33000
  • 折射率 : 1.4543 (estimate)
  • 水溶性 : Slightly soluble in water.
  • 沸点 : 321.2°C at 760 mmHg
  • 熔点 : 144-148 °C (lit.)
  • 闪点 : 148.1℃
  • 颜色与性状 : 白色粉末 2. 密度(g/mL,25/4℃)
  • 敏感性 : Moisture Sensitive
  • 密度 : 1.5808 (rough estimate)

计算特性

  • 精确分子量 : 113.01100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 113.011
  • 重原子数量 : 8
  • 复杂度 : 104
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 63.3

异恶唑5-甲酸(21169-71-1)国际标准相关数据

EINECS:
24882764

异恶唑5-甲酸(21169-71-1)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

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

异恶唑5-甲酸(21169-71-1)推荐厂家 更多厂家(33)

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异恶唑5-甲酸(21169-71-1)相关文献

异恶唑5-甲酸(21169-71-1)参考资料

Beilstein:
MFCD00156151
PubChem CID:

异恶唑5-甲酸(21169-71-1) MSDS

基础信息

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 NamecontentEINECS#
21169-71-1Isoxazole-5-Carboxylic Acidca. 100unlisted
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