2-(四氢呋喃-2-基)乙腈 | 33414-62-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 中文名称: 2-(四氢呋喃-2-基)乙腈
• 中文别名: 2-(氰甲基)四氢呋喃；(四氢呋喃-2-基)乙腈
• 英文名称: 2-(tetrahydrofuran-2-yl)acetonitrile
• 英文别名: (tetrahydrofuran-2-yl)acetonitrile；(+/-)-2-oxolan-2-ylethanenitrile；(tetrahydro-2-furyl)acetonitrile；2-cyanomethyltetrahydrofuran；tetrahydro[2]furyl-acetonitrile；Tetrahydro[2]furyl-acetonitril；2-(oxolan-2-yl)acetonitrile
• CAS: 33414-62-9
• 化学式: C₆H₉NO
• mdl: MFCD03206782
• 分子量: 111.144
• InChiKey: LSCVJPYMXOAEPX-UHFFFAOYSA-N

物化性质

• 沸点：
  92°C/13mmHg(lit.)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

SDS

(Tetrahydrofuran-2-yl)acetonitrile Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: (Tetrahydrofuran-2-yl)acetonitrile

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 4
Category 4
Acute toxicity (Dermal)
Acute toxicity (Inhalation) Category 4
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 Warning
Harmful 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 you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
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.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
(Tetrahydrofuran-2-yl)acetonitrile

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Section 2. HAZARDS IDENTIFICATION
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: (Tetrahydrofuran-2-yl)acetonitrile
>98.0%(GC)
Percent:
CAS Number: 33414-62-9
Tetrahydrofurfurylcarbonitrile , 2-(Cyanomethyl)tetrahydrofuran
Synonyms:
Chemical Formula: C6H9NO

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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 if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
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.
Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Unsuitable extinguishing Solid streams of water
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:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
(Tetrahydrofuran-2-yl)acetonitrile

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Section 7. HANDLING AND STORAGE
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Half or full facepiece 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.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colour: Colorless - Pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
92°C/1.7kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.02
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available

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

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

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
(Tetrahydrofuran-2-yl)acetonitrile

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

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

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not listed
UN-No:

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(四氢呋喃-2-基)乙腈 在 二异丁基氢化铝 、 水 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 四氢-2-呋喃乙醛
  参考文献：
  名称：

  [EN] INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES
  [FR] DÉRIVÉS D'INDOLIZINE POUVANT ÊTRE EMPLOYÉS DANS DES MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  本发明涉及吲哚啉化合物及其药学上可接受的组合物，用作P2X7拮抗剂，用于治疗与P2X7相关的疾病。

  公开号：

  WO2016019228A1
• 作为产物：
  描述：

  6-hydroxy-hex-2-enenitrile 在 C₁₉H₃₃N₂OPRu 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以86%的产率得到2-(四氢呋喃-2-基)乙腈
  参考文献：
  名称：

  金属-配体的不饱和腈分子间氧杂-Michael加成途径。

  摘要：

  使用具有脱芳族化吡啶骨架的PNN钳形钌催化剂，发现了醇类向不饱和腈的oxa-Michael加成反应的前所未有的催化途径。从Ru催化剂和戊烯腈之间的反应中分离出具有催化活性的Ru-二烯酰胺基配合物，结合DFT计算，支持了一种机制，其中通过金属-配体的协同作用活化腈是关键的一步。腈衍生的Ru-N部分具有足够的Brønsted碱性，可以活化醇并引发醇盐与α，β-不饱和片段的共轭加成。该反应以协调的方式进行，并涉及六元过渡态。这些特征允许反应在环境温度下在没有外部碱的情况下进行。

  DOI：

  10.1002/anie.201412110
• 作为试剂：
  描述：

  2,6-二甲基吡啶 、 碳酸氢钠 、 乙酰氯 、 trans-1-(4-chlorobenzylsulfinyl)-4-[(1E,3E)-4-[4-(trifluoromethyl)phenyl]-1,3-butadienyl]cyclohexane 在 三乙胺 、 三氟乙酸酐 作用下， 以 2-(四氢呋喃-2-基)乙腈 、 二氯甲烷 为溶剂， 生成 S-[trans-4-[(1E,3E)-4-[4-(trifluoromethyl)phenyl]-1,3-butadienyl]cyclohexyl] thioacetate
  参考文献：
  名称：

  Triazole antifungal agent

  摘要：

  一个具有以下公式的三唑化合物：##STR1## 其中Ar.sup.1代表一个可选地取代的苯基，Ar.sup.2代表一个可选地取代的苯基，R.sup.0代表一个氢原子或一个低级烷基；R.sup.1代表一个低级烷基；R.sup.2至R.sup.5代表一个氢原子或一个未取代或卤素取代的烷基，n代表0到2；p代表0或1；q、r和s每个代表0到2；并且A代表一个1,3-二氧杂环己烷-5-基。本发明所述的三唑化合物展现出了优异的抗真菌活性。

  公开号：

  US05977152A1

文献信息

• Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands
  申请人：Gruenenthal GmbH

  公开号：US20130079373A1

  公开（公告）日：2013-03-28

  The invention relates to substituted methanesulfonamide derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及取代甲磺酰胺衍生物作为辣椒素受体配体，含有这些化合物的药物组合物，以及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• INHIBITORS OF INFLUENZA VIRUSES REPLICATION
  申请人：Charifson Paul S.

  公开号：US20120171245A1

  公开（公告）日：2012-07-05

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A compound is represented by Structural Formula (IA) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  抑制生物样本或患者中流感病毒的复制、减少生物样本或患者中流感病毒量以及治疗患者流感的方法，包括向所述生物样本或患者施用有效量的由结构公式（I）表示的化合物： 或其药用可接受盐，其中结构公式（IA）的值如本文所述。由结构公式（IA）或其药用可接受盐表示的化合物，其中结构公式（IA）的值如本文所述。药物组合物包括有效量的上述化合物或其药用可接受盐，以及药用可接受载体、佐剂或车辆。
• Pyrimidine derivatives as IL-8 receptor antagonists
  申请人：——

  公开号：US20040087601A1

  公开（公告）日：2004-05-06

  Compounds containing the pyrimidine nucleus and their use to treat diseases and conditions related to inappropriate Interleukin-8 receptor activity are disclosed. The compounds are of the formula I 1 In these compounds, Q is preferably unsubstituted and substituted heterocyclyl; U is usually hydrogen or fluorine; and V is preferably hydrogen, halogen, alkyl, —O—alkyl or —S-alkyl. A representative example is: 2

  含有嘧啶核的化合物及其用于治疗与不适当的白细胞介素-8受体活性相关的疾病和症状的用途已被披露。这些化合物的结构式为I 1 在这些化合物中，Q最好是未取代或取代的杂环烷基；U通常是氢或氟；V最好是氢、卤素、烷基、—O—烷基或—S-烷基。一个代表性的例子是： 2
• [EN] HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES DES PROTÉINES DU NOYAU DE L'HÉPATITE B
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2015138895A1

  公开（公告）日：2015-09-17

  ABSTRACT The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound.

  摘要 本公开提供了部分具有对乙型肝炎病毒Cp具有变构效应的化合物。本文还提供了治疗病毒感染（如乙型肝炎）的方法，包括向需要的患者施用所述化合物。
• Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands
  申请人：Gruenenthal GmbH

  公开号：US20130079320A1

  公开（公告）日：2013-03-28

  The invention relates to amine substituted methanesulfonamide derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及胺取代甲磺酰胺衍生物作为辣椒素受体配体，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。