13709-05-2 (3-甲氧基苯甲醛,3-(Methoxymethoxy)benzaldehyde)

CAS号:
13709-05-2
中文名称:
3-甲氧基苯甲醛
英文名称:
3-(Methoxymethoxy)benzaldehyde
分子式:
C9H10O3
分子量:
166.173902988434

3-甲氧基苯甲醛(13709-05-2)名称与标识符

名称

中文别名:
3-甲氧基苯甲醛;间茴香醛;3-甲氧甲氧基苯甲醛;3-(Methoxymethoxy)benzaldehyde 3-甲氧甲氧基苯甲醛;3-甲氧基甲氧基苯甲醛;6-硝基-1-苯并噻吩1,1-二氧化物;间甲氧基苯甲醛;3-(甲氧基甲氧基)苯甲醛;
英文别名:
3-(Methoxymethoxy)benzaldehyde;3-(Methoxyethoxy)benzaldehyde;3-Methoxybenzaldehyde,(m-Anisaldehyde);meta-anisaldehyde;3-Methoxybenzaldehyde;3-(methoxy-methoxy)-benzaldehyde;m-methoxymethoxybenzaldehyde;3-methoxymethoxybenzaldehyde;3-methoxymethoxy-benzaldehyde;3-methoxymethyloxy-benzaldehyde;Benzaldehyde,3-(methoxymethoxy)-;JAFJNSQISURLCX-UHFFFAOYSA-N;Benzaldehyde, 3-(methoxymethoxy)-;RL01630;AX8006691;3-(Methoxymethoxy)benzaldehyde, AldrichCPR;M1448;A807187;J-5;AS-61348;J-510892;MFCD04038425;DTXSID80483534;13709-05-2;AKOS010077281;CS-0196247;FT-0636942;SCHEMBL950478;D91502;DB-042374;

标识符

MDL:
MFCD04038425
InChIKey:
JAFJNSQISURLCX-UHFFFAOYSA-N
Inchi:
1S/C9H10O3/c1-11-7-12-9-4-2-3-8(5-9)6-10/h2-6H,7H2,1H3
SMILES:
O(COC)C1C=CC=C(C=O)C=1

3-甲氧基苯甲醛(13709-05-2)物化性质

实验特性

  • LogP : 1.48180
  • PSA : 35.53000
  • 折射率 : 1.5310 to 1.5350
  • 沸点 : 276.6±20.0 °C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 111.8±8.2 °C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.14

计算特性

  • 精确分子量 : 166.06300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 166.062994177g/mol
  • 重原子数量 : 12
  • 复杂度 : 136
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.5

3-甲氧基苯甲醛(13709-05-2)海关数据

海关编码:
2912299000
海关数据:

中国海关编码:

2912499000

概述:

2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 四聚甲醛报明外观

Summary:

2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

3-甲氧基苯甲醛(13709-05-2)生产方法和用途

用途:
用作医药中间体;

3-甲氧基苯甲醛(13709-05-2)相关文献

3-甲氧基苯甲醛(13709-05-2)参考资料

Reaxys RN:
2091524
Beilstein:
M157864
PubChem CID:

3-甲氧基苯甲醛(13709-05-2) MSDS

基础信息

  3-(Methoxymethoxy)benzaldehyde      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        3-(Methoxymethoxy)benzaldehyde    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3-(Methoxymethoxy)benzaldehyde    
  Percent:        >95.0%(GC)    
  CAS Number:        13709-05-2    
  Chemical Formula:        C9H10O3    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. 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.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

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

Section 5. FIRE-FIGHTING MEASURES
  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.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    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
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Colorless - Slightly pale yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
    No data available
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
  Relative density:        1.14    
  Solubility(ies):
  3-(Methoxymethoxy)benzaldehyde

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  [Water]        No data available    
  [Other solvents]        No data available    

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
  products:

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:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  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    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

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.

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

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.
  3-(Methoxymethoxy)benzaldehyde


SECTION 16 - ADDITIONAL INFORMATION
N/A