酸性兰

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

酸性兰 基本信息

中文名称:
酸性兰 
中文别名:
酸性蓝 1;
酸性蓝;
酸性兰 
英文名称:
Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,inner salt
英文别名:
Acid Blue 1;
Azure Blue VX;
Patent Blue V;
Xylene Blue;
ACID BLUE 1;
Alphazurine G;
Carmine Blue V;
Brilliant Acid Blue 
CAS No.:
116-95-0
分 子 式:
C27H32N2O6S2
分 子 量:
566.66500
精确分子量:
566.15200
PSA:
137.41000
MDL:
MFCD00012119
EINECS:
204-934-1
InChI:
InChI=1/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
分子结构式:
SDS:
查看

酸性兰 制备方法及用途

制备方法

苯甲醛-2,4-双磺酸与N,N-二乙基苯胺缩合再经盐析而得。原料消耗(kg、t)N,N-二乙基苯胺 351 碳酸钠(98%) 147硫酸(100%) 359 盐酸(31%) 11尿素 14 元明粉 1360重铬酸纳 63 精盐2308

合成制备方法

苯甲醛-2,4-双磺酸与N,N-二乙基苯胺缩合再经盐析而得。原料消耗(kgt)N,N-二乙基苯胺 351 碳酸钠(98%) 147硫酸(100%) 359 盐酸(31%) 11尿素 14 元明粉 1360重铬酸纳 63 精盐2308

用途简介

主要用于羊毛和丝绸织物的染色和印花,也可用于制备复写纸,黑水及色淀。还可用于塑料着色和生物着色。

用途

主要用于羊毛和丝绸织物的染色和印花,也可用于制备复写纸,黑水及色淀。还可用于塑料着色和生物着色。

酸性兰 物化性质

其它信息:

1.      性状:深蓝色粉末

2.      密度(g/mL,20):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, KPa):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(mmHg, ºC):未确定

12.   饱和蒸气压(kPa, ºC):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:极易溶解于冷水和热水呈蓝色,溶于酒精呈蓝色。遇浓硫酸呈芥末黄色,稀释后呈金黄色

酸性兰 安全信息

海关代码:
3204120000
安全说明:
24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

酸性兰 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name Acid Blue 1
    Portland OR
    Synonym        Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-    
    disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]
    -N-ethyl-, inner salt (CA INDEX NAME);
    CI# 42045; Alphazurine G; Azure Blue VX;
    Brilliant Acid Blue; Carmine Blue V; Patent Blue V;
    Xylene Blue;
    C27H32N2O6S2
    Chemical Formula
    116-95-0
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Acid Blue 1        116-95-0        Min. 95.0        This chemical is classified as a        Rat LD50 (intravenous) 5 gm/kg    
    (HPLC)        carcinogen. There is no        Mouse LD50 (intraperitoneal) 3    
    acceptable exposure limit for a        gm/kg    
    carcinogen.        Mouse LD50 (intravenous) 1200    
    mg/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.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Tumorigenic Effects.
    Rat TDLo Intramuscular 2070 mg/kg/50 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Blood - Lymphomas including Hodgkin's disease
    Tumorigenic - Tumors at site of application
    Rat TDLo Subcutaneous 3000 mg/kg/33 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Neoplastic by RTECS criteria
    Tumorigenic - Tumors at site of application
    Rat TD Subcutaneous 4050 mg/kg/45 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Equivocal tumorigenic agent by RTECS criteria
    Tumorigenic - Tumors at site of application
    DEVELOPMENTAL TOXICITY: Not available.
    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. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.
    Continued on Next Page
    Acid Blue 1

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flammable Limits        Not available.    
    Flash Points        Not available.    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Carcinogenic material.
    Spill Cleanup
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    Instructions
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        CARCINOGEN. Keep away from heat. 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.
    Information

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. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        This chemical is classified as a carcinogen. There is no acceptable exposure limit for a carcinogen.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (Greenish-yellow ~ dark green,        Solubility        Soluble in water.    
    crystalline powder)
    Not available.
    Specific Gravity
    544.68
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.        Not available.    
    Critical Temperature        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents.

Section XI. Toxicological Information
    BP6830000
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Rat LD50 (intravenous) 5 gm/kg
    Toxicity Data
    Mouse LD50 (intraperitoneal) 3 gm/kg
    Mouse LD50 (intravenous) 1200 mg/kg
    Continued on Next Page
    Acid Blue 1
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Tumorigenic Effects.
    Rat TDLo Intramuscular 2070 mg/kg/50 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Carcinogenic by RTECS criteria
    Blood - Lymphomas including Hodgkin's disease
    Tumorigenic - Tumors at site of application
    Rat TDLo Subcutaneous 3000 mg/kg/33 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Neoplastic by RTECS criteria
    Tumorigenic - Tumors at site of application
    Rat TD Subcutaneous 4050 mg/kg/45 weeks intermittent
    TOXIC Effects:
    Tumorigenic - Equivocal tumorigenic agent by RTECS criteria
    Tumorigenic - Tumors at site of application
    DEVELOPMENTAL TOXICITY: Not available.
    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.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    C.I. Acid Blue 1's production and use as a dye, a biological stain and to color medicinal products may result in its release to
    Environmental Fate
    the environment through various waste streams. The ionic state of C.I. Acid Blue 1 makes this compound essentially
    non-volatile, therefore C.I. Acid Blue 1 should exist solely in the particulate phase in the ambient atmosphere.
    Particulate-phase C.I. Acid Blue 1 may be physically removed from the air, mainly by wet deposition. An estimated Koc of 15
    suggests that C.I. Acid Blue 1will have very high mobility in soil although its ionic nature may result in ion-exchange
    processes with clay that would retard leaching. The volatilization of the dye from moist soil surfaces to air will not be important
    as C.I. Acid Blue 1 is an ionic compound. It may adsorb to clay sediments and particulate matter in the water due to
    ion-exchange processes. The loss of the dye from water surfaces by volatilization should not be important due to its ionic
    nature. The potential for bioconcentration in aquatic organisms should be low based on an estimated BCF value of 2.
    Occupational exposure may be through inhalation of dusts and dermal contact with this compound at workplaces where C.I.
    Acid Blue 1 is produced or used. The general population may be exposed to C.I. Acid Blue 1 via ingestion of pharmaceuticals
    and dermal contact with products containing C.I. Acid Blue 1.

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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 the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        CLASS D-2A: Material causing other toxic effects (VERY TOXIC).    
    (Canada)
    EINECS Number (EEC) 204-165-1
    EEC Risk Statements        R45- May cause cancer.    
    Japanese Regulatory Data ENCS No. 5-1630
    Continued on Next Page


SECTION 16 - ADDITIONAL INFORMATION
N/A

酸性兰 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):3.5

2、   氢键供体数量:1

3、   氢键受体数量:7

4、   可旋转化学键数量:8

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):118

7、   重原子数量:37

8、   表面电荷:0

9、   复杂度:1050

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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