2-(4-羟基苯甲酰)苯甲酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

2-(4-羟基苯甲酰)苯甲酸 基本信息

中文名称:
2-(4-羟基苯甲酰)苯甲酸 
中文别名:
2-(4-羟基苯甲酰)苯甲酸;
2-(2-甲苯基)异烟酸;
2-(4-羟基苯甲酰基)-苯甲酸 
英文名称:
Benzoic acid,2-(4-hydroxybenzoyl)-
英文别名:
2-(4-Hydroxybenzoyl)benzoic acid;
4'-Oxy-benzophenon-carbonsaeure-(2);
o-(p-hydroxybenzoyl)-benzoicaci;
2-(4-hydroxybenzoyI)benzoic acid;
phthaleinacid;
o-(p-hydroxybenzoyl)benzoicacid;
2-(2-METHYLPHENYL)-ISONICOTINIC ACID;
2-(4-Hydroxy-benzoyl)-benzoesaeure;
2-(4-hydroxybenzoyl)-benzoicaci;
2-(4-hydroxy-benzoyl)-benzoic acid;
Hibenzate 
CAS No.:
85-57-4
分 子 式:
C14H10O4
分 子 量:
242.23
精确分子量:
242.05800
PSA:
74.60000
MDL:
MFCD00016507
EINECS:
201-616-4
InChI:
InChI=1/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)
分子结构式:
SDS:
查看

2-(4-羟基苯甲酰)苯甲酸 物化性质

外观与性状:
白色粉末
密度:
1.356 g/cm3
熔点:
140 °C
沸点:
512.6ºC at 760 mmHg
闪点:
277.9ºC
折射率:
1.5201 (20ºC)

2-(4-羟基苯甲酰)苯甲酸 安全信息

海关代码:
2918990090
安全说明:
S24/25
危险标志:
Xi

2-(4-羟基苯甲酰)苯甲酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH1950000
CHEMICAL NAME :
Benzoic acid, o-(p-hydroxybenzoyl)-
CAS REGISTRY NUMBER :
85-57-4
BEILSTEIN REFERENCE NO. :
2116114
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-O4
MOLECULAR WEIGHT :
242.24
WISWESSER LINE NOTATION :
QVR BVR DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02591

2-(4-羟基苯甲酰)苯甲酸 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      2-(4-Hydroxybenzoyl)benzoic acid    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        2-(4-Hydroxybenzoyl)benzoic acid    
    CAS number:        85-57-4    

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    
    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:        C14H10O4    
    Molecular weight:        242.2    

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

2-(4-羟基苯甲酰)苯甲酸 海关数据

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(4-羟基苯甲酰)苯甲酸 分子结构与计算化学数据

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:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:4

6.拓扑分子极性表面积74.6

7.重原子数量:18

8.表面电荷:0

9.复杂度:318

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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