5-碘-2-糠酸 | 18614-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-碘-2-糠酸
• 英文名称: 5-iodofuran-2-carboxylic acid
• 英文别名: 5-iodo-2-furoic acid；5-iodo-furan-2-carboxylic acid；5-Jod-furan-2-carbonsaeure；5-Iod-2-furancarbonsaeure；5-Iodfuran-2-carbonsaeure；2-Iod-5-carboxy-furan
• CAS: 18614-11-4
• 化学式: C₅H₃IO₃
• mdl: MFCD02180668
• 分子量: 237.982
• InChiKey: UKRYIKCRRFOEOD-UHFFFAOYSA-N

物化性质

• 熔点：
  192 °C
• 沸点：
  326.4±27.0 °C(Predicted)
• 密度：
  2.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H319

SDS

Name:	5-Iodo-2-furoic acid 97% Material Safety Data Sheet
Synonym:	5-Iodofuran-2-carboxylic aci
CAS:	18614-11-4

Section 1 - Chemical Product MSDS Name:5-Iodo-2-furoic acid 97% Material Safety Data Sheet
Synonym:5-Iodofuran-2-carboxylic aci

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18614-11-4	5-Iodo-2-furoic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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.

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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.

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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.

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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# 18614-11-4: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 - 196 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: C5H3IO3
Molecular Weight: 238

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen iodide, iodine, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18614-11-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Iodo-2-furoic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 18614-11-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18614-11-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18614-11-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-碘-2-糠酸 在 氯化亚砜 作用下， 反应 5.5h， 生成 5-iodofuroyl chloride
  参考文献：
  名称：

  Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes

  摘要：

  合成了46种不同取代基的噻唑衍生物（芳酰噻唑），并研究了它们在离子选择电极（ISEs）中的离子载体潜力。根据相应的重金属ISE参数，考虑了结构因素。作为离子载体，某些1-呋喃酰基-3-取代噻唑（系列2）在Pb(II)、Hg(II)和Cd(II) ISE中表现出最佳性能。系列2中的强内氢键使得配体只能通过CS基团进行相互作用。呋喃和苯环上的取代基导致在膜增塑剂中溶解度低。3-烷基取代的呋喃酰噻唑提高了溶解度，但随着链长的增加增强了氧化过程。在分析取代基对ISE选择性的影响时，考虑了新的X射线衍射（XRD）结构和理论DFT计算。这些新离子载体因其稳定性、简单合成和由于取代改变硫结合能力的易修改性而具有优势。

  DOI：

  10.1039/b102029n
• 作为产物：
  描述：

  bis-(5-formyl-[2]furyl)-mercury 在 1,4-二氧六环 、 sodium hydroxide 、 乙醇 、 双氧水 、 碘 、 mercury dichloride 作用下， 生成 5-碘-2-糠酸
  参考文献：
  名称：

  SOME REACTIONS OF 5-CHLOROMERCURI-2-FURFURYL ALCOHOL¹

  摘要：

  DOI：

  10.1021/jo01201a015

文献信息

• Radioiodinated ?1-adrenergic receptor ligands
  作者：Terence G. Hamill、H. Donald Burns、Raymond E. Gibson

  DOI：10.1002/jlcr.433

  日期：2001.1

  The synthesis and preliminary characterization of three radioiodinated α1-adrenergic receptor ligands [125I]5a–c are described. These tracers are analogs of L-760,478, 1b, itself an analog of prazosin, 1a. The highest affinity tracer, [125I]5a, has six fold higher affinity for the α1 receptor subtypes than prazosin. These ligands could be useful for autoradiographic studies of the α1 receptor subtypes. Copyright © 2001 John Wiley & Sons, Ltd.

  本文描述了三种放射性碘化α1-肾上腺素能受体配体[125I]5a-c的合成和初步表征。这些示踪剂是L-760,478,1b的类似物，而L-760,478,1b本身是哌唑嗪1a的类似物。最高亲和力的示踪剂[125I]5a对α1受体亚型的亲和力比哌唑嗪高六倍。这些配体可用于α1受体亚型的自动放射研究。版权所有 © 2001 John Wiley & Sons, Ltd.
• 一种2,5-呋喃二甲酸的合成工艺
  申请人：上海予君生物科技发展有限公司

  公开号：CN113979974A

  公开（公告）日：2022-01-28

  本发明公开了一种2,5‑呋喃二甲酸的合成工艺，以呋喃‑2‑甲酸和碘化钾催化剂，制备2‑碘‑5‑呋喃甲酸；再制得2‑碘‑5‑呋喃甲酸酯；并以Pd催化剂与三乙胺和乙醇制得2,5‑呋喃二甲酸酯；加碱并中和后得到产物2,5‑呋喃二甲酸。
• Kotschetkow; Nifant'ew, Vestnik Moskovskogo Universiteta, 1958, vol. 13, # 5, p. 119,121
  作者：Kotschetkow、Nifant'ew

  DOI：——

  日期：——
• Intramolecular Cyclization Reactions of 5-Halo- and 5-Nitro-Substituted Furans
  作者：Kenneth R. Crawford、Scott K. Bur、Christopher S. Straub、Albert Padwa

  DOI：10.1021/ol035233k

  日期：2003.9.1

  [GRAPHICS]Intramolecular cyclization reactions of 5-halo- and 5-nitro-substituted furanylamides were examined. The 2-alkoxy-5-bromofuran derivative 2 produced the rearranged dihydroquinone 6 (36%), a product from the rearrangement of the intermediate oxabicycle 3. The 5-halo substituted furoyl amide 18 was converted to the polyfunctional oxabicycle 20 in 82% yield and at a much faster rate than the unsubstituted furanyl system 17. The 5-nitro-substituted furfuryl amide 33b underwent an unusual isomerization-cyclization reaction under microwave conditions to provide 1,4-dihydro-2H-benzo[4,5]furo[2,3-c]pyridin-3-one 34.
• Nasarowa, Zhurnal Obshchei Khimii, 1955, vol. 25, p. 539,541; engl. Ausg. S. 509, 511
  作者：Nasarowa

  DOI：——

  日期：——

表征谱图