4792-29-4 (5-羧基苯酞,1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid)

CAS号:
4792-29-4
中文名称:
5-羧基苯酞
英文名称:
1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
分子式:
C9H6O4
分子量:
178.14154291153

5-羧基苯酞(4792-29-4)名称与标识符

名称

中文别名:
5-羧基苯酞;苯酞-5-羧酸;5-羧基苯酞甲酯;5-羟基苯酞;
英文别名:
1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid;1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid;1-oxo-3H-2-benzofuran-5-carboxylic acid;5-Carboxyphthalide;1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid;1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid;1-Oxo-phthalan-5-carbonsaeure;1-oxo-phthalan-5-carboxylic acid;5-carbophthalide;5-Carboxyl-phthalide;phthalide-5-carboxylic acid;1-Oxo-5-phthalancarboxylic acid;5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-;5-Phthalancarboxylic acid, 1-oxo-;1,3-DIHYDRO-1-OXOISOBENZOFURAN-5-CARBOXYLICACID;MFCD04117971;EN300-177256;A827391;SB21801;5-Carboxyphthalid;1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid;2-cyclohexylideneethanamine;1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid;SCHEMBL1407977;QTWUWCFGWYYRRL-UHFFFAOYSA-N;5-carboxyphthalide, AldrichCPR;AS-47186;AKOS004123341;DTXSID00197348;EINECS 225-343-5;1-Oxo-1,3-dihydroisobenzofuran-5-carboxylicacid;5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-;1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid;5Carboxyphthalid;FT-0655026;4792-29-4;9NF25F2LUE;CS-0050454;SY239176;NS00031735;F12521;1,3-Dihydro-1-oxoisobenzofuran-5-carbonsure;

标识符

MDL:
MFCD04117971
InChIKey:
QTWUWCFGWYYRRL-UHFFFAOYSA-N
Inchi:
1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)
SMILES:
O1C(C2C=CC(C(=O)O)=CC=2C1)=O

5-羧基苯酞(4792-29-4)物化性质

实验特性

  • LogP : 1.05520
  • PSA : 63.60000
  • 折射率 : 1.635
  • 沸点 : 481.1°C at 760 mmHg
  • 闪点 : 206.3 °C
  • 颜色与性状 : 白色至灰白色 无气味的粉末
  • 密度 : 1.502

计算特性

  • 精确分子量 : 178.02700
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 178.027
  • 重原子数量 : 13
  • 复杂度 : 248
  • 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) : 0.3
  • 拓扑分子极性表面积 : 63.6A^2

5-羧基苯酞(4792-29-4)国际标准相关数据

EINECS:
225-343-5

5-羧基苯酞(4792-29-4)海关数据

海关编码:
2932999099
海关数据:

中国海关编码:

2932999099

概述:

2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-羧基苯酞(4792-29-4)推荐厂家 更多厂家(57)

公司名称手机号/电话联系人QQ微信询单
南通合润生物科技有限公司 18796189333许先生 1198220653
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湖北齐飞医药化工有限公司 18071128683
027-59322506
汪经理18071128683(微信同号) 1438280077
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湖北广奥生物科技有限公司 13657291602
13657291602
郭银 1098480033
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江苏润丰合成科技有限公司 18662931390
0513-66017679
蔡经理 507167383 询单
江苏雷恩环保科技有限公司 18662920632
0513-66017275
费小姐 3485543679 询单
湖北方德新材料有限公司 18086096695邱经理 1462312301
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湖北摆渡化学有限公司 13517219350
13517219350
彭星 1400878899
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山东玖玥生物科技有限公司 15553333686张文杰 643971
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湖北诺纳科技有限公司 17386169806
027-59209883
张经理 1141855188
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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5-羧基苯酞(4792-29-4) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      5-Carboxyphthalide    
    Synonyms:        1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid    

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

Section 3. Composition/information on ingredients.
    Ingredient name:        5-Carboxyphthalide    
    CAS number:        4792-29-4    

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:        C9H6O4    
    Molecular weight:        178.1    

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

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