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3-Cyano-2-fluoropyridine

3-Cyano-2-fluoropyridine


  • 中文别名:2-氟-3-氰基吡啶
  • 中文释义:3-氰基-2-氟吡啶;2-氟-3-氰基吡啶;2-氟烟酰腈;3-氰基-2-氟代吡啶;2-氟烟腈
  • 英文别名:3-Cyano-2-fluoropyridine;
    2-Fluoropyridine-3-carbonitrile;
    2-Fluoronicotinonitrile;
    2-fluoropyridine-3-carbonitrile 
  • CAS No.:3939-13-7
  • 分子式:

    C6H3FN2

  • 分子量:122.10
  • 精确分子量:122.02800
  • PSA:36.68000
  • MDL:MFCD03095082
  • InChI:InChI=1/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
  • 分子结构式:

物化性质

密度:
1.24 g/cm3
熔点:
27-30°C
沸点:
214.6ºC at 760 mmHg
闪点:
83.6°C
折射率:
1.509
存储条件/存储方法:

常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息

密度:
1.24 g/cm3
熔点:
27-30°C
沸点:
214.6ºC at 760 mmHg
闪点:
83.6°C
折射率:
1.509
存储条件/存储方法:

常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

毒理性

生态数据:

该物质对环境可能有危害,对水体应给予特别注意

MSDS

3-Cyano-2-fluoropyridineRevision number: 5
SAFETY DATA SHEET
Section1. IDENTIFICATION
Product name:3-Cyano-2-fluoropyridine
Revision number:5
Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot 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 irritationCategory 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordWarning
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.
3-Cyano-2-fluoropyridine
Section2. HAZARDS IDENTIFICATION
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:3-Cyano-2-fluoropyridine
>98.0%(GC)
Percent:
CAS Number:3939-13-7
2-Fluoronicotinonitrile
Synonyms:
Chemical Formula:C6H3FN2
Section4. 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.
Section5. 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:
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: 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.
Section7. 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 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
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
3-Cyano-2-fluoropyridine
Section7. HANDLING AND STORAGE
Air-sensitive
Packaging material:Comply with laws.
Section8. 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: 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.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Form:Crystal- Lump
Colour:White - Very pale yellow
Odour:No data available
pH: No data available
Melting point/freezing point:29°C (Freezing point)
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]No data available
Section10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
products:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available
Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
No data available
Crustacea:
Algae:No data available
3-Cyano-2-fluoropyridine
Section12. ECOLOGICAL INFORMATION
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
Log Pow:No data available
No data available
Soil adsorption (Koc):
Henry's LawNo data available
constant(PaM3/mol):
Section13. 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.
Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
Not listed
UN-No:
Section15. 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

海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积36.7

7.重原子数量:9

8.表面电荷:0

9.复杂度:137

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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