2,5-二氰呋喃 | 58491-62-6

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2,5-二氰呋喃
• 中文别名: 2,5-呋喃二甲腈；2,5-二氰基呋喃
• 英文名称: 2,5-dicyanofuran
• 英文别名: 2,5-furandicarbonitrile；Furan-2,5-dicarbonitrile
• CAS: 58491-62-6
• 化学式: C₆H₂N₂O
• mdl: MFCD00671519
• 分子量: 118.095
• InChiKey: KCSYJHQYWTYFCM-UHFFFAOYSA-N

物化性质

• 熔点：
  63 °C
• 沸点：
  213.0±20.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)
• 溶解度：
  微溶于在甲醇中
• 稳定性/保质期：

  在常温常压下保持稳定，请避免接触水。

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1
• 海关编码：
  2932190090
• 危险品运输编号：
  UN 2811
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P310+P330,P302+P352+P312+P361+P364,P304+P340+P311,P305+P351+P338+P337+P313,P403+P233,P405,P501
• 危险性描述：
  H301,H311,H315,H319,H331
• 储存条件：
  将贮存于密封容器中，并置于干燥、阴凉的地方保存。

SDS

2,5-Dicyanofuran
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION
Product name: 2,5-Dicyanofuran

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 3
Category 3
Acute toxicity (Dermal)
Acute toxicity (Inhalation) Category 3
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Toxic if swallowed, in contact with skin or if inhaled
Hazard statements
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Avoid breathing dust/fume/gas/mist/vapours/spray.
[Prevention]
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician.
IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Remove/Take off immediately all contaminated clothing.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
2,5-Dicyanofuran

---

Section 2. HAZARDS IDENTIFICATION
[Storage] Store in a well-ventilated place. Keep container tightly closed.
Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2,5-Dicyanofuran
>98.0%(GC)
Percent:
CAS Number: 58491-62-6
2,5-Furandicarbonitrile
Synonyms:
Chemical Formula: C6H2N2O

---

Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

---

Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Storage conditions:
2,5-Dicyanofuran

---

Section 7. HANDLING AND STORAGE
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

---

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: Crystal- Powder
Colour: White - Slightly pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:63°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
[Water] No data available
[Other solvents]
Methanol
Slightly soluble:

---

Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

---

Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

---

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
2,5-Dicyanofuran

---

Section 12. ECOLOGICAL INFORMATION
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):

---

Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

---

Section 14. TRANSPORT INFORMATION
6.1: Toxic substance.
Hazards Class:
UN-No: 3439
Nitriles, solid, toxic, n.o.s.
Proper shipping name:
Packing group: III

---

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,5-二氰呋喃 在 氢气 、 dioxide titanium 、 铂 作用下， 以 乙醇 为溶剂， 100.0 ℃ 、1.0 MPa 条件下， 反应 4.0h， 以95%的产率得到1,6-己二胺
  参考文献：
  名称：

  催化2,5-二氰基呋喃加氢开环合成1,6-己二胺的方法

  摘要：

  本申请公开了一种催化2,5‑二氰基呋喃加氢开环合成1,6‑己二胺的方法。该方法包括在氢源环境中，将含有2,5‑二氰基呋喃的物料，与催化剂接触，反应，得到1,6‑己二胺；其中，所述催化剂包括酸性载体和金属元素；所述金属元素负载在所述酸性载体上。该方法高收率、低成本、催化剂易分离、低污染的加氢开环新技术，以氢气为氢源，开环加氢2,5‑二氰基呋喃制备1,6‑己二胺。该方法具有广阔的应用前景。

  公开号：

  CN112979474B
• 作为产物：
  描述：

  5-羟甲基糠醛 在 吡啶 、 potassium permanganate 、 氯化亚砜 、 N,N-二甲基甲酰胺 、 三氟乙酸酐 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 50.0 ℃ 、135.81 kPa 条件下， 生成 2,5-二氰呋喃
  参考文献：
  名称：

  NOVEL MONOMERS FROM BIOMASS

  摘要：

  从生物质中提取的化合物，例如纤维素和木质素，以及形成这些化合物和聚合物以及使用这些化合物形成的产品的方法。

  公开号：

  US20170233325A1

文献信息

• 酰胺连续化制备腈的方法
  申请人：浙江大学衢州研究院

  公开号：CN112028726B

  公开（公告）日：2022-08-12

  本发明公开了一种酰胺连续化制备腈的方法，包括以下步骤：将铅盐与分子筛通过浸渍法制备成分子筛负载的铅催化剂，将分子筛负载的铅催化剂填充至固定床反应器内；将酰胺或酰胺溶液由固定床顶部送入固定床反应器内被催化脱水，所得的反应产物从固定床底部引出；所述反应产物经分离，得到酰胺所对应的腈的粗品。采用固定床连续化生产工艺，反应过程简单，生产效率高，产物后处理简单，易实现工业化生产。
• Facile dehydration of primary amides to nitriles catalyzed by lead salts: The anionic ligand matters
  作者：Shixiang Ruan、Jiancheng Ruan、Xinzhi Chen、Shaodong Zhou

  DOI：10.1016/j.mcat.2020.111313

  日期：2021.1

  aromatic nitriles can be prepared in this manner with moderate to excellent yields. The reaction mechanisms were obtained with high-level quantum chemical calculations, and the crucial role the anionic ligand plays in the transformations were revealed.

  在温和条件下腈的合成是通过使用铅盐作为催化剂使伯酰胺脱水来实现的。通过不仅添加表面活性剂，而且连续地从体系中除去唯一的副产物水来增强反应过程。脂肪族和芳香族腈都可以这种方式制备，具有中等至极好的收率。通过高级量子化学计算获得了反应机理，并揭示了阴离子配体在转化中的关键作用。
• Substituted thieno[2,3-d]pyrimidines as adenosine A2A receptor antagonists
  作者：Brian C. Shook、Devraj Chakravarty、J. Kent Barbay、Aihua Wang、Kristi Leonard、Vernon Alford、Mark T. Powell、Stefanie Rassnick、Robert H. Scannevin、Karen Carroll、Nathaniel Wallace、Jeffrey Crooke、Mark Ault、Lisa Lampron、Lori Westover、Kenneth Rhodes、Paul F. Jackson

  DOI：10.1016/j.bmcl.2013.02.078

  日期：2013.5

  A novel series of benzyl substituted thieno[2,3-d]pyrimidines were identified as potent A2A receptor antagonists. Several five- and six-membered heterocyclic replacements for the optimized methylfuran were explored. Select compounds effectively reverse catalepsy in mice when dosed orally.

  一系列新的苄基取代的噻吩并[2,3- d ]嘧啶类化合物被认为是有效的A 2A受体拮抗剂。探索了几种用于优化甲基呋喃的五元和六元杂环取代基。口服时，选择的化合物可有效逆转小鼠的僵直。
• Green synthesis of benzonitrile using ionic liquid with multiple roles as the recycling agent
  作者：Zhihui Li、Tingting Wang、Xudong Qi、Qiusheng Yang、Liya Gao、Dongsheng Zhang、Xinqiang Zhao、Yanji Wang

  DOI：10.1039/c9ra02296a

  日期：——

  benzaldehyde and hydroxylamine hydrochloride is one of the most advantageous approaches. Nevertheless, it suffers from various constraints such as longer reaction time, corrosion and recovery of hydrochloric acid, the use of metal salt catalysts and their separation. For these reasons, a novel green benzonitrile synthetic route was proposed with ionic liquid as the recycling agent in this study. The results indicated

  由苯甲醛和盐酸羟胺制备苯腈是最有利的方法之一。然而，它受到各种限制，例如较长的反应时间、腐蚀和盐酸的回收、金属盐催化剂的使用及其分离。为此，本研究提出了一种以离子液体为回收剂的新型绿色苄腈合成路线。结果表明，羟胺1-磺丁基吡啶硫酸氢盐((NH 2 OH) 2 ·[HSO 3 - b -Py]·HSO 4 )是盐酸羟胺的专家替代品。同时，离子液体[HSO 3 - b -Py]·HSO 4表现出助溶剂、催化和相分离的多重作用，因此取消了金属盐催化剂的使用，不需要额外的催化剂。因此，分离过程大大简化。当苯甲醛与(NH 2 OH) 2 ·[HSO 3 - b -Py]·HSO 4的摩尔比为1:1.5时，对二甲苯与[HSO 3 - b -Py]·HSO 4的体积比为2:1，苯甲醛转化率和苯腈收率均在120 ℃下2小时100%。更好的是，离子液体可以很容易地通过相分离回收，反应后直接回收利用。此外，该
• A “universal” catalyst for aerobic oxidations to synthesize (hetero)aromatic aldehydes, ketones, esters, acids, nitriles, and amides
  作者：Thirusangumurugan Senthamarai、Vishwas G. Chandrashekhar、Nils Rockstroh、Jabor Rabeah、Stephan Bartling、Rajenahally V. Jagadeesh、Matthias Beller

  DOI：10.1016/j.chempr.2021.12.001

  日期：2022.2

  compounds are indispensable chemicals widely used in basic and applied sciences. Among these, especially aromatic aldehydes, ketones, carboxylic acids, esters, nitriles, and amides represent valuable fine and bulk chemicals, which are used in chemical, pharmaceutical, agrochemical, and material industries. For their synthesis, catalytic aerobic oxidation of alcohols constitutes a green, sustainable, and cost-effective

  功能化（杂）芳族化合物是基础和应用科学中广泛使用的不可或缺的化学品。其中，尤其是芳香醛、酮、羧酸、酯、腈和酰胺是有价值的精细和大宗化学品，可用于化学、制药、农业化学和材料工业。对于它们的合成，醇的催化有氧氧化构成了一种绿色、可持续且具有成本效益的工艺，理想情况下应该利用活性和选择性的 3D 金属。在这里，我们报告了通过在碳上热解钴-哌嗪-酒石酸络合物作为最通用的氧化催化剂，制备包裹在 Co-纳米颗粒中的石墨层。这种独特的材料可以合成简单、功能化和结构多样的（杂）芳香醛、酮、