124221-71-2 (苯甲酸异戊酯,3'-Aminobiphenyl-3-carboxylic acid)

CAS号:
124221-71-2
中文名称:
苯甲酸异戊酯
英文名称:
3'-Aminobiphenyl-3-carboxylic acid
分子式:
C13H11NO2
分子量:
213.231943368912

苯甲酸异戊酯(124221-71-2)名称与标识符

名称

中文别名:
3-氨基联苯-3-羧酸;苯甲酸异戊酯;
英文别名:
3'-Amino-[1,1'-biphenyl]-3-carboxylic acid;[1,1'-Biphenyl]-3-carboxylicacid, 3'-amino-;3-(3-AMINOPHENYL)BENZOIC ACID;3-Aminobiphenyl-3-carboxylic acid;3'-Amino-biphenyl-3-carboxylic acid;3'-AMinobiphenyl-3-carboxylic acid;AKOS B025029;AKOS BAR-0131;VITAS-BB TBB000332;ART-CHEM-BB B025029;3'-amino-3-biphenylcarboxylic acid;3-BIPHENYL-3'-AMINO-CARBOXYLIC ACID;3'-AMINO[1,1'-BIPHENYL]-3-CARBOXYLIC ACID;3'-Amino-biphenyl-3-carboxylic acid;3-BIPHENYL-3'-AMINO-CARBOXYLIC ACID;3-amino-biphenyl-3-carboxylicacid;SY238595;BB 0222470;BS-19590;3'-amino-biphenyl-3-carboxylic acid, AldrichCPR;EN300-1142105;[1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-;SCHEMBL1252434;SB79065;FT-0763132;CHEMBL189593;MFCD03839954;3'-Amino-[1,1'-biphenyl]-3-carboxylicacid;DTXSID40378215;ZEA22171;BDBM50475371;AKOS000314414;CS-0171093;3 inverted exclamation mark -Amino-[1,1 inverted exclamation mark -biphenyl]-3-carboxylic Acid;124221-71-2;AMY20936;DB-062228;3''-Amino-[1,1''-biphenyl]-3-carboxylic Acid;STK004952;

标识符

MDL:
MFCD03839954
InChIKey:
RQKFSJNOPKCEJI-UHFFFAOYSA-N
Inchi:
1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
SMILES:
OC(C1=CC=CC(=C1)C1C=CC=C(C=1)N)=O

苯甲酸异戊酯(124221-71-2)物化性质

实验特性

  • LogP : 3.21520
  • PSA : 63.32000
  • 颜色与性状 : Solid

计算特性

  • 精确分子量 : 213.07900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 213.078978594g/mol
  • 重原子数量 : 16
  • 复杂度 : 254
  • 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) : 2.4
  • 拓扑分子极性表面积 : 63.3Ų

苯甲酸异戊酯(124221-71-2)海关数据

海关编码:
2922499990
海关数据:

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

检验检疫类别:

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

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%

苯甲酸异戊酯(124221-71-2) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      3’-Aminobiphenyl-3-carboxylic acid    
    Synonyms:        3-(3-Aminophenyl)benzoic acid    

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        3’-Aminobiphenyl-3-carboxylic acid    
    CAS number:        124221-71-2    

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    
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    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 speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C13H11NO2    
    Molecular weight:        213.2    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames 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