5773-80-8 (6-溴-2-萘甲酸,6-Bromo-2-napthoic Acid)

CAS号:
5773-80-8
中文名称:
6-溴-2-萘甲酸
英文名称:
6-Bromo-2-napthoic Acid
安全信息:
分子式:
C11H7BrO2
分子量:
251.076082468033

6-溴-2-萘甲酸(5773-80-8)名称与标识符

名称

中文别名:
6-溴-2-萘甲酸;6-Bromo-2-naphthoic Acid 6-溴-2-萘甲酸;Boc-焦谷氨酸;2-溴-6-萘酸;
英文别名:
6-Bromo-2-naphthoic acid;6-BROMO-2-NAPHTHALENE CARBOXYLIC ACID;6-Bromo-2-napthoic Acid;6-bromonaphthalene-2-carboxylic acid;2-Naphthoicacid, 6-bromo- (6CI,7CI,8CI);(6-Bromonaphthalen-2-yl)acetic acid;6-Bromo-2-naphthylacetic acid;6-Bromo-2-naphthalenecarboxylic Acid;2-Naphthalenecarboxylic acid, 6-bromo-;6-Bromo-2-naphtholic aicd;6-bromanylnaphthalene-2-carboxylic acid;PubChem9466;6-Bromo-2-naphthoicAcid;KSC269G5D;NPMCAVBMOTZUPD-UHFFFAOYSA-N;6-BROMO-2-NAPHTHOLIC ACID;SBB03;EN300-84719;A831576;B3823;SY008220;AC-1312;A869600;AMY8818;6-Bromo-naphthalene-2-carboxylic acid;FT-0620975;6-Bromo-2-naphthoic acid, AldrichCPR;F13882;SCHEMBL203205;AS-10945;5773-80-8;CS-W009021;AKOS015892556;6-BROMO-2-NAPHTHIOC ACID;Z1251345401;DTXSID90404154;Q-100664;MFCD01075720;DB-029230;(6-Bromonaphthalen-2-yl)acetic Acid; 6-Bromo-2-naphthalenecarboxylic Acid; 6-Bromo-2-naphthylacetic Acid;

标识符

MDL:
MFCD01075720
InChIKey:
NPMCAVBMOTZUPD-UHFFFAOYSA-N
Inchi:
1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
SMILES:
BrC1C=CC2=CC(C(=O)O)=CC=C2C=1
BRN:
2328940

6-溴-2-萘甲酸(5773-80-8)物化性质

实验特性

  • LogP : 3.30050
  • PSA : 37.30000
  • 折射率 : 1.69
  • 水溶性 : Insoluble in water.
  • 沸点 : 387.3°C at 760 mmHg
  • 熔点 : 294-295 ºC
  • 闪点 : 188℃
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.6

计算特性

  • 精确分子量 : 249.96300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 249.963
  • 重原子数量 : 14
  • 复杂度 : 229
  • 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) : 4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.3

6-溴-2-萘甲酸(5773-80-8)国际标准相关数据

EINECS:
MFCD01075720

6-溴-2-萘甲酸(5773-80-8)海关数据

海关编码:
2916399090
海关数据:

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

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%

6-溴-2-萘甲酸(5773-80-8)生产方法和用途

用途:
用作医药中间体

6-溴-2-萘甲酸(5773-80-8)推荐厂家 更多厂家(77)

6-溴-2-萘甲酸(5773-80-8)相关文献

6-溴-2-萘甲酸(5773-80-8)参考资料

Reaxys RN:
2328940
Beilstein:
2328940
PubChem CID:

6-溴-2-萘甲酸(5773-80-8) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
  6-Bromo-2-naphthoic acid
    Product Name:
    Synonyms:        6-Bromonaphthalene-2-carboxylic acid    

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing    
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    6-Bromo-2-naphthoic acid
    Ingredient name:
    CAS number:        5773-80-8    

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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.
    Storage:        Store in closed vessels.    

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
    Not speci?ed
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H7BrO2    
    Molecular weight:        251.1    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen bromide.

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