萘-1,4,5,8-四甲酸二酐

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

萘-1,4,5,8-四甲酸二酐 基本信息

中文名称:
萘-1,4,5,8-四甲酸二酐 
中文别名:
1,4,5,8-萘四甲酸酐;
萘-1,4,5,8-四羧酸二酐;
1,4,5,8-萘四酸二酐;
萘-1,4,5,8-四甲酸二酐 
英文名称:
naphthalene-1,4,5,8-tetracarboxylic acid
英文别名:
1,4,5,8-Naphthalenetetracarboxylic dianhydride;
NTCDA 
CAS No.:
81-30-1
分 子 式:

C14H4O6

分 子 量:
268.18
精确分子量:
268.00100
PSA:
86.74000
MDL:
MFCD00006915
EINECS:
201-342-5
BRN:
272788
InChI:
InChI=1/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H
危险品标志:

IrritantXi

风险术语:

R36/37/38

安全术语:

S26;S36

分子结构式:
SDS:
查看

萘-1,4,5,8-四甲酸二酐 制备方法及用途

制备方法

用于合成耐高温高分子材料的单体,用于染料,颜料的中间体。

用途简介

用途

用于有机合成。

萘-1,4,5,8-四甲酸二酐 物化性质

密度:
1.79g/cm3
熔点:
>300 °C(lit.)
沸点:
617ºC at 760 mmHg
闪点:
280.4ºC
折射率:
1.781
存储条件/存储方法:

 本品应密封于干燥避光处保存。

萘-1,4,5,8-四甲酸二酐 安全信息

WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
RTECS号:
QK3695000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant;

萘-1,4,5,8-四甲酸二酐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QK3695000
CAS REGISTRY NUMBER :
81-30-1
BEILSTEIN REFERENCE NO. :
0272788
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C14-H4-O6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intratracheal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982
毒理学数据:

1、急性毒性

大鼠口径LD507400mg/kg;大鼠气管LDL050mg/kg

小鼠口径LD507100mg/kg

萘-1,4,5,8-四甲酸二酐 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      1,4,5,8-Naphthalenetetracarboxylic dianhydride, tech grade    
    Synonyms:

Section 2. Hazards identification
    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    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        1,4,5,8-Naphthalenetetracarboxylic dianhydride, tech grade    
    CAS number:        81-30-1    

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.
    Storage:        Store in closed vessels, refrigerated.    

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    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C14H4O6
    Molecular weight: 268.2

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

萘-1,4,5,8-四甲酸二酐 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:62.95

2、   摩尔体积(m3/mol):149.8

3、   等张比容(90.2K):465.7

4、   表面张力(dyne/cm):93.4

5、   极化率10-24cm3):24.95

计算化学数据

1.疏水参数计算参考值(XlogP):1.9

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积86.7

7.重原子数量:20

8.表面电荷:0

9.复杂度:446

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

萘-1,4,5,8-四甲酸二酐 上游产品

萘-1,4,5,8-四甲酸二酐 表征图谱

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