颜料蓝60

颜料蓝60 基本信息
CAS号 81-77-6 分子式 C28H14N2O4
分子量 442.42200 精确质量 　442.09500
PSA 　99.86000 LogP 　4.14060
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
81-77-6
3D弹球模型：
立即前往扯扯看
分子式：
C28H14N2O4
分子量：
442.42200
中文名称：
颜料蓝60
英文名称：
Vat Blue 4
中文别名：
颜料蓝60;
还原蓝 4;
还原蓝RS;
6,15-二氢二蒽并哒嗪-5,9,14,18-四酮;
颜料蓝 GR;
还原蓝RD;
阴丹士林蓝;
蒽醌蓝;
阴丹酮;
颜料蓝 60
英文别名：
Vat Blue 4;
vatblueo;
vat;
e130;
Blue 60;
blueo;
ponsolrp;
Pigment Blue 60;
l-blau1;
indanthrone;
6,15-dihydroanthrazine-5,9,14,18-tetrone;
vatblueod;
indanthrene;
foodblue4;
c.i.1106;
anthraquinone blue
精确分子量/精确质量：
442.09500
极性分子表面积/PSA：
99.86000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
201-375-5
InChI：
InChI=1/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H

生产制备方法及用途展开↓

制备方法

2-氨基蒽醌在硝酸钠、乙酸钠存在下，用混合碱（NaOH/KOH）进行碱熔反应，经过保险粉的精制提纯处理，合成粗品还原蓝RSN（C.I.还原蓝4）；再将该还原蓝RSN经过酸溶析出与溶剂处理，得到具有颜料使用性能的α-晶型C.I.颜料蓝60产品。

合成制备方法

方法 1：熔融法。
以 2-氨基蒽醌为原料，经与温合碱碱熔后，用保险粉溶液精制得产物。或以 2-氨基蒽醌为原料，二甲亚砜为溶剂，与氢氧化钾进行碱熔反应，再经保险粉溶液精制后得产物。。
在缩合锅中加入无水混合碱 595kg (氢氧化钾占 68%)，加热熔融后，加入 131kg 乙酸钠 (98%)、1.5kg 油酸 (工业品)。关闭缩合锅，加热至 185-190℃，同时用氮气驱赶空气，使反应液处于氮气保护下，于 30min 内加入 263kg 2-氨基蒽醌，控制温度不超过 215℃，加毕保温 1h，再加入 25kg 亚硝酸钠 (98%)，控制温度不超过 230℃，约 2h 内加完。继续搅拌 20min，完成碱熔反应。
在精制锅中放入 5000L 水，通入氮气驱赶空气，放入碱熔物料，搅拌 2h；降温至 51℃左右，加入 110kg 保险粉，慢速搅拌，降温至 45℃时，结晶析出。过滤，滤饼用保险粉水溶液洗涤 (洗涤水由 20L 液碱、20kg 保险粉、5000L 水配制而成)，再用 45℃温水洗至滤液呈微蓝，抽干，得染料隐色体湿料。
在打浆机中加入染料隐色体湿料，适量水打浆，并通入空气于 60℃氧化 6h 后，加入扩散剂 NNO 150kg 进行砂磨，喷雾干燥得成品。每批约 138kg (100%)。

方法 2：溶剂法。
在缩合锅中加入 15L 二甲亚砜、6.802kg 2-氨基蒽醌，于 1h 左右升温至 132℃，待 2-氨基蒽醌基本溶解，继续升温至 130-150℃维持 30min，使其完全溶解。此时停止加热，通入空气，温度约下降至 128℃，于 10min 内加入 4.4L 氢氧化钾溶液 (39.8%)。并继续通入空气，于 (125±2)℃保温反应 4h。然后加水 20L，物料温度降至 80℃左右过滤，用 50-60℃的水 40L 洗缩合锅，并用其洗滤饼，抽干。
在精制锅中加入 380L 水，上述滤饼打浆 1h，加碱 27kg (43%氢氧化钠)，升温至 56-57℃，加入 5.44kg 保险粉 (85%)，保持温度 20min，再于 40min 内降温至 52℃，结晶析出，过滤，滤饼用 50℃左右洗涤水 [410L 水、5.8kg 氢氧化钠 (43%)、0.82kg 保险粉 (85%) 配制] 洗涤，再用清水洗涤抽干。
在酸化锅中加水 100L，加入精制滤饼，打浆 2h，加水调体积至 200L，加硫酸调 pH 值为 2-3 (约用 12.34%的硫酸 10kg)。搅拌 20min 过滤，用水洗至中性，吹干。进行砂磨即得成品。

用途简介

商品剂型牌号有31种，红光蓝色，接近ε-CuPc红光，优异耐光气候牢度，高透明度与耐溶剂牢度，Cromophtal Blue A3R的比表面积为40m2/g。用于汽车涂料等金属装饰漆，甚至比CuPc还耐光；在冲淡色仍有优良的耐久性，但比α-型CuPc着色力要低；亦可用于塑料着色，在聚烯烃中热稳定性达300℃/5min（1/3SD的HDPE试样300，200℃下处理的色差ΔE仅为1.5）；软质PVC中耐迁移性优异，耐光牢度为8级（1/3SD）；亦用于高档造币印墨。

用途

1、还原蓝RSN 主要用于棉纤维染色及棉布印花，也用于维棉、涤棉织物的两浴套染。染黏胶纤维得色较浅。可与还原蓝、棕、橄榄等拼蓝色、深灰等。也用于制造油墨用颜料。

2、广泛用于纱线的隐色体染色，超细粉末可用于棉布及涤/棉的悬浮轨染，也用于麻、粘纤、维纶及纤维及其织物的染色印花。还用于粘棉、维棉混纺织物及锦纶染色。应用本品印染的织物经脲醛、氰醛、DMEU或2D树脂整理，色光变化极微。如用BHES树脂整理后，则色光变绿与暗。

物化性质展开↓

外观与性状：
蓝色针状,带有一种金属光泽
密度：
1.487 g/cm3
熔点：
470-500°C
沸点：
740.2ºC at 760 mmHg
闪点：
253.9ºC
水溶解性：
<0.1 g/100 mL at 21℃
折射率：
1.746
存储条件/存储方法：

密封于阴凉处保存。

其它信息：

1.       性状：深蓝色粉末

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：不溶于水、乙酸、乙醇、吡啶、二甲苯、甲苯，微溶于氯仿 (热)、邻氯苯酚、喹啉。于浓硫酸中呈棕色，稀释后产生蓝色沉淀。于保险粉碱性溶液中呈蓝色，于酸性液中呈红光蓝色。

安全信息展开↓

海关代码：
3204170000
危险类别码：
R20/21/22
安全说明：
22-36/37/39
RTECS号：
CB8761100
安全标志：
S22:不要吸入粉尘。
:
危险标志：
Xi

合成路线查看所有的合成路线

  • 117-79-3

    2-氨基蒽醌

  • →

    ~49%

  • 72-48-0

    1,2-二羟基蒽醌

  • +

  • 81-77-6

    颜料蓝60

  • 6374-73-8

    2-amino-1-mercaptoanthracene-9,10-dione

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    2-氨基-1-氯蒽醌

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  • 127-09-3

    无水醋酸钠

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  • 98-95-3

    硝基苯

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  • 81-77-6

    颜料蓝60

  • 82-27-9

    2-氨基-1-氯蒽醌

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  • 142-71-2

    乙酸铜

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  • 100-61-8

    N-甲基苯胺

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  • 475-71-8

    还原黄G

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  • 81-77-6

    颜料蓝60

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB8761100
CHEMICAL NAME :
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-
CAS REGISTRY NUMBER :
81-77-6
BEILSTEIN REFERENCE NO. :
0367131
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C28-H14-N2-O4

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 :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57, 1948-77. Discontinued. Volume(issue)/page/year: 38B,60,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intratracheal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1327,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4604 No. of Facilities: 79 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 563 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4604 No. of Facilities: 86 (estimated) No. of Industries: 5 No. of Occupations: 8 No. of Employees: 22663 (estimated) No. of Female Employees: 16700 (estimated)
毒理学数据：

1、急性毒性

大鼠口径LD:2 mg/kg；大鼠气管LD50: 250 mg/kg；

MSDS 展开↓

Section I.Chemical Product and Company Identification
    Chemical Name Indanthrone
    Portland OR
    Synonym        C.I. Pigment Blue 60, Cl. 69800    
    Chemical Formula        C28H14N2O4    
    CAS Number        81-77-6    
Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Indanthrone        81-77-6        --------- Not available.        Rat LD50 (oral) 2000mg/kg    
Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.
Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact
    If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,
    protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
    exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
    soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
    medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking    
    finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
    person anything to ingest. Seek medical attention. Treat symptomatically and supportively.
Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Continued on Next Page
    Indanthrone
Section VI.        Accidental Release Measures    
    Spill Cleanup        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a    
    Instructions        shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.
    DSD/Pictogra Handling and Storage
    Handling and Storage        Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container    
    and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In case of insufficient ventilation,
    Information
    wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Treat
    symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    
Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Powder.        Insoluble in cold water, hot water,    
    methanol, diethyl ether, acetone.
    Not available.
    Specific Gravity
    Molecular Weight        442.43        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    Not available.
    Viscosity        Not available.        Taste        Not available.    
Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with strong oxidizing agents.
Section XI. Toxicological Information
    RTECS Number        CB8761100    
    Routes of Exposure        Eye contact. Ingestion. Inhalation.    
    Rat LD50 (oral) 2000mg/kg
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Continued on Next Page
    Indanthrone
Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    
Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.
Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not available.    
    Proper Shipping Name
    Not available.
    Packing Group (PG)        Not available.    
    DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is ON the EPA Toxic substances control act (TSCA) inventory.    
    (EPA)
    WHMIS Classification
    Not controlled under WHMIS (Canada).
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not available.    

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：120.71

2、   摩尔体积（cm3/mol）：297.4

3、   等张比容（90.2K）：859.7

4、   表面张力（dyne/cm）：69.8

5、   极化率（10-24cm3）：47.85

计算化学数据

1.疏水参数计算参考值（XlogP）:4.9

2.氢键供体数量:2

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:28

6.拓扑分子极性表面积92.3

7.重原子数量:34

8.表面电荷:0

9.复杂度:857

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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