酸性蓝 1 | 116-95-0

• 物质功能分类: 染料及颜料 - 染料 - 酸性染料
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 酸性蓝 1
• 中文别名: 酸性蓝1；酸性蓝；酸性兰
• 英文名称: patent blue VF
• 英文别名: 4',4''-bis-diethylamino-2,4-disulfo-tritylium betaine；2-(4.4'-Bis-diaethylamino-benzhydryliumyl)-5-sulfo-benzolsulfonat；4',4''-Bis-diaethylamino-2,4-disulfo-tritylium-betain；4-[[4-(Diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate;hydron；4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate;hydron
• CAS: 116-95-0
• 化学式: C₂₇H₃₂N₂O₆S₂
• 分子量: 544.693
• InChiKey: IKHKJYWPWWBSFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 海关编码：
  3204120000
• 储存条件：
  室温

SDS

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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

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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

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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.

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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

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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.

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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.

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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

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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.

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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.

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Section X. Stability and Reactivity Data

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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.

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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.

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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.

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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.

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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

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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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

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(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。

用途简介

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

反应信息

• 作为反应物：
  描述：

  酸性蓝 1 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 98.5h， 生成 [4-((4-diethylaminophenyl)-{4-[5-(2,5-dioxopyrrolidin-1-yloxycarbonyl)pentylsulfamoyl]-2-sulfophenyl}methylene)cyclohexa-2,5-dienylidene]diethylammonium
  参考文献：
  名称：

  On the Use of Nonfluorescent Dye Labeled Ligands in FRET-Based Receptor Binding Studies

  摘要：

  The efficiency of fluorescence resonance energy transfer (FRET) is dependent upon donor-acceptor proximity and spectral overlap, whether the acceptor partner is fluorescent or not. We report here on the design, synthesis, and characterization of two novel pirenzepine derivatives that were coupled to patent blue VF and pinacyanol dyes. These nonfluorescent compounds, when added to cells stably expressing enhanced green fluorescent protein (EGFP)fused muscarinic M1 receptors, promote EGFP fluorescence extinction in a time-, concentration-, and atropine-dependent manner. They display nanomolar affinity for the muscarinic receptor, determined using either FRET or classical radioligand binding conditions. We provide evidence that these compounds behave as potent acceptors of energy from excited EGFP with quenching efficiencies comparable to those of analogous fluorescent bodipy or rhodamine red pirenzepine derivatives. The advantages they offer over fluorescent ligands are illustrated and discussed in terms of reliability, sensitivity, and wider applicability of FRET-based receptor binding assays.

  DOI：

  10.1021/jm050459+

文献信息

• Ginsburg; Mel'nikowa, Zhurnal Prikladnoi Khimii, 1956, vol. 29, p. 793,795, 797; engl. Ausg. S. 859
  作者：Ginsburg、Mel'nikowa

  DOI：——

  日期：——
• US7678160B2
  申请人：——

  公开号：US7678160B2

  公开（公告）日：2010-03-16