3-氨基苯乙酸甲酯

3-氨基苯乙酸甲酯 基本信息
CAS号 52913-11-8 分子式 C9H11NO2
分子量 165.18900 精确质量 　165.07900
PSA 　52.32000 LogP 　1.56550
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
52913-11-8
3D弹球模型：
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分子式：
C9H11NO2
分子量：
165.18900
中文名称：
3-氨基苯乙酸甲酯
英文名称：
Methyl 3-Aminophenylacetate
中文别名：
3-氨基苯乙酸甲酯;
Benzamide, N-methoxy-N-methyl-4-nitro-;
4-Methoxy-N-methoxy-N-methylbenzamide;
4,N-Dimethoxy-N-methylbenzamide;
N-(3-Butenyl)phthalimide;
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxo-Butanamide;
2-[(E)-(4-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide;
2-(4-nitrophenyl)azo-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;
pigment orange 62;
BHSORB-770;
Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate;
bis(3,3,5,5-tetramethylpiperidin-4-yl) decanedioate;
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioate;
Hindered amine light stabilizer 770;
bis(2,2,6,6-tetramethyl-4-piperidyl)sebacate;
Tinuvin770;
Bis-(2,2,6,6-tetramethyl-4-piperidinyl)-sebacate;
Light Stabilizing Agent 770;
Photo-stabilizer HS-770
英文别名：
Methyl 3-Aminophenylacetate;
3-Aminophenylacetic acid methyl ester;
Methyl 2-(3-aminophenyl)acetate;
methyl 2-(3-aminophenyl)acetate
精确分子量/精确质量：
165.07900
极性分子表面积/PSA：
52.32000
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：
InChI=1/C9H11NO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6,10H2,1H3

物化性质展开↓

密度：
1.143g/cm3
沸点：
281.584ºC at 760 mmHg
闪点：
140.496ºC
折射率：
1.556

安全信息展开↓

海关代码：
2922499990
危险标志：
Xi

合成路线查看所有的合成路线

  • 14338-36-4

    3-氨基苯乙酸

  • →

    ~92%

  • 52913-11-8

    3-氨基苯乙酸甲酯

  • 67-56-1

    甲醇

  • +

  • 14338-36-4

    3-氨基苯乙酸

  • →

    ~87%

  • 52913-11-8

    3-氨基苯乙酸甲酯

  • 10268-12-9

    间硝基苯乙酸甲酯

  • →

    ~60%

  • 52913-11-8

    3-氨基苯乙酸甲酯

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      Methyl 3-aminophenylacetate    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        Methyl 3-aminophenylacetate    
    CAS number:        52913-11-8    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C9H11NO2    
    Molecular weight:        165.2    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2922499990

概述：
2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary：
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

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:1

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:52.3

7.重原子数量:12

8.表面电荷:0

9.复杂度:159

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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