1-萘甲酸甲酯

1-萘甲酸甲酯 基本信息
CAS号 2459-24-7 分子式 C12H10O2
分子量 186.20700 精确质量  186.06800
PSA  26.30000 LogP  2.62640

基本信息 展开↓

CAS号:
2459-24-7
3D弹球模型:
立即前往扯扯看
分子式:
C12H10O2
分子量:
186.20700
中文名称:
1-萘甲酸甲酯
英文名称:
1-NAPHTHOIC ACID METHYL ESTER
中文别名:
1-萘甲酸甲酯;
1-萘羧酸甲酯
英文别名:
1-NAPHTHOIC ACID METHYL ESTER;
methyl naphthalene-1-carboxylate;
1-Naphthoic acid methyl;
METHYL 1-NAPHTHALENECARBOXYLATE;
naphthalene-1-carboxylic acid methyl ester;
methyl naphthoate;
1-(Methoxycarbonyl)naphthalene;
1-Naphthalenecarboxylic acid methyl;
RARECHEM AL BF 0090;
naphthoicacidmethylester;
METHYL 1-NAPHTHOATE
精确分子量/精确质量:
186.06800
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: HMRROBKAACRWBP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.153g/cm3
沸点:
303.8ºC at 760mmHg
闪点:
145.8ºC
其它信息:

1.      性状:未确定

2.      密度(g/mL, ,20℃):1.17

3.      相对密度(20℃,4℃):1.129

4.      熔点(ºC):59.5

5.      沸点(ºC,常压):16820

6.      沸点(ºC 20mmHg):169

7.      折射率(nD20):未确定

8.      闪点(ºC):未确定

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,20ºC):未确定

12.   饱和蒸气压(kPa, 0ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2916399090
危险类别码:
36/37/38
安全说明:
26-36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 86-55-5

    1-萘甲酸

  • ~99%

  • 2459-24-7

    1-萘甲酸甲酯

  • 1445-45-0

    原乙酸三甲酯

  • +

  • 86-55-5

    1-萘甲酸

  • ~98%

  • 2459-24-7

    1-萘甲酸甲酯

  • 67-56-1

    甲醇

  • +

  • 66-77-3

    1-萘甲醛

  • ~98%

  • 2459-24-7

    1-萘甲酸甲酯

化学图谱

  1. 1-萘羧酸甲酯红外图谱(IR1)

  2. 1-萘羧酸甲酯质谱(MS)

  3. 1-萘羧酸甲酯核磁图(13CNMR)

  4. 1-萘羧酸甲酯核磁图(1HNMR)

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 1-Naphthoic Acid Methyl Ester
    Portland OR
    Synonym        1-Naphthalenecarboxylic Acid Methyl Ester    
    Chemical Formula        C12H10O2    
    CAS Number        2459-24-7    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    1-Naphthoic Acid Methyl Ester        2459-24-7        Min. 97.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with    
    running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the
    irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
    clothing before reusing.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive. SEEK IMMEDIATE MEDICAL
    ATTENTION in case of ingestion of a radioactive material.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Continued on Next Page
    Chemi        1-Naphthoic Acid Methyl Ester    
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the    
    spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
    Instructions
    for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container    
    and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas, fumes, vapor or spray. In case of
    Information
    insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label
    when possible. Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Liquid.        Not available.    
    1.16 (water=1)
    Specific Gravity
    Molecular Weight        186.21        Partition Coefficient        Not available.    
    Boiling Point
    Not available.        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        1.61 @ 20°C        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye contact. Inhalation. Ingestion.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.
    Continued on Next Page
    1-Naphthoic Acid Methyl Ester

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    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 this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    PIN Number
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives 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展开↓

分子结构数据


1、   摩尔折射率:55.86

2、   摩尔体积(cm3/mol):161.4

3、   等张比容(90.2K):415.9

4、   表面张力(dyne/cm):44.0

5、 极化率(10-24cm3):22.14

计算化学数据


1.疏水参数计算参考值(XlogP):无

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26.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:212

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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