81-30-1 (萘-1,4,5,8-四甲酸二酐,1,4,5,8-Naphthalenetetracarboxylic dianhydride)

快速询单

结构式：

萘-1,4,5,8-四甲酸二酐MOL文件

CAS号：

81-30-1

中文名称：

萘-1,4,5,8-四甲酸二酐

英文名称：

1,4,5,8-Naphthalenetetracarboxylic dianhydride

安全信息：

分子式：

C₁₄H₄O₆

分子量：

268.17796421051

萘-1,4,5,8-四甲酸二酐(81-30-1)名称与标识符

名称

中文别名：

萘-1,4,5,8-四甲酸二酐;1,4,5,8-萘四甲酸酐;萘-1,4,5,8-四甲酸二酐(以升华法纯化);萘-1,4,5,8-四羧酸二酐;1,4,5,8-萘四甲酸二酐;1,4,5,8-萘四酸二酐;Naphthalene-1,4,5,8-tetracarboxylic Dianhydride 萘-1,4,5,8-四羧酸二酐;Naphthalene-1,4,5,8-tetracarboxylic Dianhydride (purified by sublimation) 萘-1,4,5,8-四甲酸二酐(以升华法纯化);8-四甲酸二酐;溴化镍;1,4,5,8-萘四甲酸酐 (以升华法纯化);1,4,5,8-萘四酸二酐 (以升华法纯化);1,4,5,8-萘四酸1,8:4,5-二酐;

英文别名：

naphthalene-1,4,5,8-tetracarboxylic acid;Naphthalene-1,4,5,8-tetracarboxylic acid dianhydride;1,4,5,8-Naphthalenetetracarboxylic dianhydride;Naphthalene-1,4,5,8-tetracarboxylic Dianhydride (purified by sublimation);1.4.5.8-Naphthalenetetracarboxylicdianhydride;Naphthalene-1,4,5,8-tetracarboxylic Dianhydride;NTCDA;Nickel broMide;NTCDA (purified by sublimation);NTDA;Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone;Naphthalenetetracarboxylic dianhydride;Naphthalene-1,8:4,5-tetracarboxylic dianhydride;2,7-Dioxapyrene-1,3,6,8-tetrone;1,8:4,5-Naphthalenetetracarboxylic dianhydride;1,4,5,8-Naphthalenetetracarboxylic acid anhydride;1,4,5,8-Naphthalenetetracarboxylic acid dianhydride;L56XQD1V6Y;[2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-te;C14-H4-O6;1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID, 1,8:4,5-DIANHYDRIDE;MFCD00006915;1,4,5, 8-Naphthalenetetracarboxylic acid dianhydride;1,4,5,8-Naphthalenetetracarboxylic dianhydride treated HSA;Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone #;1,8:4, 5-Naphthalenetetracarboxylic dianhydride;2,7-Dioxapyrene-1,3,6, 8-tetrone;EINECS 201-342-5;5-19-05-00423 (Beilstein Handbook Reference);NSC 84241;BRN 0272788;NSC-84241;1,4,5,8-Naphthalenetetracarboxylic dianhydride (NTDA);1,4,5,8-naphthalene tetracarboxylic acid dianhydride;Tox21_304005;NAPHTHALIC 1,8:4,5-DIANHYDRIDE;[2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone;1,5,8-Naphthalenetetracarboxylic dianhydride;EN300-220051;Q-200077;N0369;A840089;[2]Benzopyrano[6,4-def][2]benzopyran-1,3,6,8-tetrone;1,4,5, 8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride;1,4,5,8-Naphthalenetetracarboxylic dianhydride treated gelatin;{[2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone};(2)Benzopyrano(6,5,4-def)(2)benzopyran-1,3,6,8-tetrone;1,5,8-Naphthalenetetracarboxylic acid anhydride;6,13-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;1,4,5,8-naphthalenetetracar-boxylic dianhydride;DTXSID4052554;NSC84241;1,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride;AKOS003614689;1,4,5,8-Naphthalenetetracarboxylicdianhydride;Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone;1,4,5,8-naphthalenetetracarboxylicdianhydride;1,4,5,8-Naphthalenetetracarboxylic dianhydride treated BSA;UNII-L56XQD1V6Y;LS-94955;C14H4O6;1,5,8-Naphthalenetetracarboxylic acid dianhydride;DTXCID1031127;1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5 dianhydride;1,4,5,8-Naphthalene, tetracarboxylic 1,8:4,5-dianhydride;1,5-Naphthalenetetracarboxylic dianhydride;NCGC00357221-01;SCHEMBL148025;Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone;1,4,5,8-naphthalene tetracarboxylic dianhydride;1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride;2,3,6,8-tetrone;81-30-1;N0755;1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride;1,4,5, 8-Naphthalenetetracarboxylic acid anhydride;s10066;CAS-81-30-1;Naphthalene-1,4,5,8-tetracarboxylic Dianhydride, (purified by sublimation);FT-0606752;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1,4,5, 8-Naphthalenetetracarboxylic dianhydride;NS00038115;1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride (7CI, 8CI);Naphthalenetetracarboxylic dianhydride (6CI);1,4,5,8-Naphthalenetetracarboxylic acid-1,8:4,5-dianhydride;1,4,5,8-Naphthalic dianhydride;1,4,5,8-Tetracarboxynaphthalene dianhydride;Naphthalene-4,5,8,9-tetracarboxylic dianhydride;Naphthalenetetracarboxylic anhydride;DB-056510;1,4,5,8-Naphthalenetetracarboxylic dianhydride; NTCDA;

标识符

MDL：

MFCD00006915

InChIKey：

YTVNOVQHSGMMOV-UHFFFAOYSA-N

Inchi：

1S/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

SMILES：

O=C1C2C3C(=CC=C4C=3C(=CC=2)C(=O)OC4=O)C(=O)O1

BRN：

0272788

萘-1,4,5,8-四甲酸二酐(81-30-1)物化性质

实验特性

LogP : 1.46100
PSA : 86.74000
折射率 : 1.5230 (estimate)
沸点 : 617°C at 760 mmHg
熔点 : >300 °C (lit.)
蒸气压 : 0.0±1.8 mmHg at 25°C
闪点 : 280.4ºC
颜色与性状 : 淡黄色粉状物
溶解性 : 不确定。
敏感性 : Moisture Sensitive
密度 : 1.5122 (rough estimate)

计算特性

精确分子量 : 268.00100
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 0
同位素质量 : 268.001
重原子数量 : 20
复杂度 : 446
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） : 1.9
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 86.7

萘-1,4,5,8-四甲酸二酐(81-30-1)安全信息

符号： GHS07
RTECS号： QK3695000
WGK Germany： 2
安全说明： S26-S36
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315,H319,H335
警示性声明：P261,P305+P351+P338
提示语：警告
储存条件：充氩保存
危险类别码： 36/37/38
信号词： Warning
TSCA： Yes
FLUKA BRAND F CODES： 10-21

萘-1,4,5,8-四甲酸二酐(81-30-1)国际标准相关数据

EINECS：

84241

萘-1,4,5,8-四甲酸二酐(81-30-1)海关数据

海关编码：

29173990

萘-1,4,5,8-四甲酸二酐(81-30-1)推荐厂家更多厂家(87)

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萘-1,4,5,8-四甲酸二酐(81-30-1)合成路线

合成路线：1 步

128-97-2

_100%

81-30-1

反应条件：

1.1 Reagents: Sulfur tetrafluoride

参考文献：

Fluorination by Sulfur Tetrafluoride

Wang, Chia-Lin J., Organic Reactions (Hoboken, 1985, 34,

合成路线：1 步

128-97-2

_80%

81-30-1

反应条件：

1.1 Solvents: Acetic acid ; 16 h, reflux

参考文献：

Dinaphtho[1,8-bc:1',8'-fg][1,5]dithiocine Bisimide

Tanaka, Yuki; et al, Asian Journal of Organic Chemistry, 2021, 10(3), 541-544

合成路线：1 步

129-00-0

_88%

81-30-1

反应条件：

1.1 Reagents: Acetic acid , Cobalt diacetate ; 110 °C; 10 min, 40 °C
1.2 Reagents: Acetic acid , Peracetic acid ; 50 °C
1.3 Reagents: Potassium hydroxide , Sodium hypochlorite ; pH 10, 50 °C
1.4 Reagents: Sodium bicarbonate ; pH 1, 80 °C
1.5 Reagents: Hydrochloric acid ; cooled

参考文献：

New xanthene structures

Iscrulescu, Lucian; et al, Revista de Chimie (Bucharest, 2008, 59(5), 578-581

合成路线：2 步

129-00-0

81-30-1

反应条件：

1.1 Reagents: Sodium dichromate Catalysts: Sulfuric acid Solvents: Water
2.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

102117-67-9

81-30-1

反应条件：

1.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

102117-68-0

81-30-1

反应条件：

1.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

17273-80-2

124-38-9

81-30-1

反应条件：

1.1 Reagents: Sodium iodide , Cadmium chloride ; > 3 h, 3 MPa, 430 - 450 °C; cooled
1.2 Reagents: Water
1.3 Reagents: Hydrochloric acid Solvents: Water ; rt; 1 h, pH 1 - 2, rt
1.4 Solvents: Methanol ; rt; > 6 h, 150 °C

参考文献：

Synthesis and structural characterization of organic semiconductor NTCDA

Li, Jian-feng; et al, Gongneng Cailiao Yu Qijian Xuebao, 2007, 13(6), 630-634

合成路线：1 步

1381955-62-9

81-30-1

反应条件：

1.1 Reagents: Oxygen Solvents: Dichloromethane

参考文献：

NTCDA-TTF first axial fusion: emergent panchromatic, NIR optical, multi-state redox and high optical contrast photooxidation

Asthana, Deepak; et al, Chemical Communications (Cambridge, 2012, 48(52), 6475-6477

合成路线：1 步

2304-85-0

1785-51-9

81-30-1

反应条件：

1.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

35147-76-3

81-30-1

反应条件：

1.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

52671-72-4

81-30-1

反应条件：

1.1 Solvents: Acetic anhydride ; 18 h, 140 °C

参考文献：

Electronic and assembly properties of a water-soluble blue naphthalene diimide

Welsh, Thomas A.; et al, New Journal of Chemistry, 2021, 45(31), 14005-14013

合成路线：1 步

52671-72-4

81-30-1

反应条件：

1.1 Solvents: Toluene , Dimethylacetamide ; 2 h, 111 °C; 111 °C → 10 °C; overnight, 10 °C

参考文献：

Conformationally rigid molecular and polymeric naphthalene-diimides containing C6H6N2 constitutional isomers

Abbinante, Vincenzo Mirco; et al, Journal of Materials Chemistry C: Materials for Optical and Electronic Devices, 2021, 9(33), 10875-10888

合成路线：1 步

65593-62-6

81-30-1

反应条件：

1.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：1 步

81-30-1

参考文献：

Stack Exchange Strategies for the Synthesis of Covalent Double-Channel Photosystems by Self-Organizing Surface-Initiated Polymerization

Sakai, Naomi; et al, Journal of the American Chemical Society, 2011, 133(46), 18542-18545

合成路线：2 步

102117-70-4

81-30-1

反应条件：

1.1 Reagents: Sulfuric acid Solvents: Water
2.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：2 步

1381955-61-8

81-30-1

反应条件：

1.1 Reagents: Oxygen Solvents: Dichloromethane ; 12 - 60 min
2.1 Reagents: Oxygen Solvents: Dichloromethane

参考文献：

NTCDA-TTF first axial fusion: emergent panchromatic, NIR optical, multi-state redox and high optical contrast photooxidation

Asthana, Deepak; et al, Chemical Communications (Cambridge, 2012, 48(52), 6475-6477

合成路线：2 步

1785-51-9

81-30-1

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Water
2.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

合成路线：2 步

65593-63-7

81-30-1

反应条件：

1.1 Reagents: Sulfuric acid
2.1 Reagents: Potassium hypochlorite Solvents: Water

参考文献：

Derivatives of 1,4,5,8-naphthalenetetracarboxylic acid. IV. Oxidation of 1,6- and 1,8-pyrenequinones with alkali metal hypochlorites

Shigalevskii, V. A.; et al, Zhurnal Organicheskoi Khimii, 1985, 21(7), 1506-13

萘-1,4,5,8-四甲酸二酐(81-30-1)上下游

4,9-二溴-2,7-二(2-癸基十四烷基)苯并林菲洛林-1,3,6,8-四酮 1-烯丙基环己醇 N,N’-二-（2-辛基十二烷基）-2,3,6,7-四溴-1,4,5,8-萘四羧酸二酰胺 4,9-二溴-2,7-二己基苯并[LMN][3,8]菲罗啉-1,3,6,8(2H,7H)-四酮 4-Bromo-2,7-dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone N,N -双[2-(二甲氨基)乙基]-1,8:4,5-萘四甲酰基二酰亚胺 4,5,9,10-Tetrabromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone 1,4,5,8-萘四甲酸四甲酯 4,9-二溴异色烯并[6,5,4-DEF]异色烯-1,3,6,8-四酮

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萘-1,4,5,8-四甲酸二酐(81-30-1)参考资料

Reaxys RN：

272788

Beilstein：

19(5)5,423

PubChem CID：

6678

萘-1,4,5,8-四甲酸二酐(81-30-1) MSDS

基础信息

Material Safety Data Sheet

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

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
    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
    ?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.
    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 speci?ed
    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, ?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