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7-Methoxy-1-naphthylacetonitrile

  • 中文别名:2-(7-甲氧基萘-1-基)乙腈
  • 中文释义:7-甲氧基-1-萘基乙腈;7-甲氧基-1-萘甲基腈;2-(7-甲氧基萘-1-基)乙腈
  • 英文别名:7-Methoxy-1-naphthylacetonitrile;
    7-Methoxy-1-naphthylmethylcyanide;
    7-Methoxy-1-Naphthylacetonitrile;
    2-(7-methoxynaphthalen-1-yl)acetonitrile 
  • cas No.:138113-08-3
  • 分子式:C13H11NO
  • 分子量:197.23
  • 精确分子量:197.08400
  • PSA:33.02000
  • InChI:InChI=1/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
  • 分子结构式:

物化性质

外观与性状:
黄褐色固体
密度:
1.135g/cm3
熔点:
81-83ºC
沸点:
374.3ºC at 760 mmHg
闪点:
157.7ºC
折射率:
1.609
蒸汽压:
8.4E-06mmHg at 25°C

安全信息

外观与性状:
黄褐色固体
密度:
1.135g/cm3
熔点:
81-83ºC
沸点:
374.3ºC at 760 mmHg
闪点:
157.7ºC
折射率:
1.609
蒸汽压:
8.4E-06mmHg at 25°C

MSDS

7-Methoxy-1-naphthylacetonitrileRevision number: 5.3
SAFETY DATA SHEET
Section1. IDENTIFICATION
Product name:7-Methoxy-1-naphthylacetonitrile
Revision number:5.3
Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot 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 irritationCategory 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
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.
7-Methoxy-1-naphthylacetonitrile
Section2. 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.
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:7-Methoxy-1-naphthylacetonitrile
>99.0%(GC)
Percent:
CAS Number:138113-08-3
7-Methoxy-1-naphthylmethylcyanide
Synonyms:
Chemical Formula:C13H11NO
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.
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.
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 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.
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 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:
7-Methoxy-1-naphthylacetonitrile
Section7. HANDLING AND STORAGE
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Comply with laws.
Section8. 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.
Section9. 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:84°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:
Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
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)
products:
Section11. 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
Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea:No data available
7-Methoxy-1-naphthylacetonitrile
Section12. ECOLOGICAL INFORMATION
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo 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):
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
6.1: Toxic substance.
Hazards Class:
UN-No:3439
Nitriles, solid, toxic, n.o.s.
Proper shipping name:
Packing group:III
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:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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):2.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:33

7.重原子数量:15

8.表面电荷:0

9.复杂度:255

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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