活性艳蓝X-ARL | 13324-20-4

• 物质功能分类: 染料及颜料 - 染料 - 活性染料(反应染料)
• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 活性艳蓝X-ARL
• 中文别名: 活性艳蓝X-BR；活性蓝4；普施安蓝MX-R；活性艳兰X-BR
• 英文名称: Reactive blue 4
• 英文别名: C.I. 61205；Procion blue MX-R；1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
• CAS: 13324-20-4
• 化学式: C₂₃H₁₄Cl₂N₆O₈S₂
• 分子量: 637.438
• InChiKey: RTLULCVBFCRQKI-UHFFFAOYSA-N

物化性质

• 沸点：
  291°C (rough estimate)
• 密度：
  1.5315 (rough estimate)
• 溶解度：
  1.57 M
• 稳定性/保质期：

  在常温常压下保持稳定，需避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  248
• 氢给体数：
  5
• 氢受体数：
  14

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• 危险类别码：
  R36
• WGK Germany：
  3
• RTECS号：
  CB1030000
• 储存条件：
  常温下应存于密闭容器中，并置于阴凉、通风且干燥处。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Reactive Blue 4
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 13324-20-4

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : Procion® blue MX-R
1-Amino-4-[3-(4,6-dichlorotriazin-2-ylamino)-4-
sulfophenylamino]anthraquinone-2-sulfonic acid
Formula : C23H14Cl2N6O8S2
Molecular Weight : 637,43 g/mol
CAS-No. : 13324-20-4
EC-No. : 236-363-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-
2,4'-disulphonic acid
CAS-No. 13324-20-4 Eye Irrit. 2; H319 <= 100 %
EC-No. 236-363-9
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-
2,4'-disulphonic acid
CAS-No. 13324-20-4 Xi, R36 <= 100 %
EC-No. 236-363-9
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: powder
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 8.980 mg/kg
Skin corrosion/irritation
Serious eye damage/eye irritation
Eyes - rabbit
Result: Moderate eye irritation - 24 h
Remarks: Eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: CB1030000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
Persistence and degradability
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
Full text of R-phrases referred to under sections 2 and 3
Xi Irritant
R36 Irritating to eyes.
Further information
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

活性艳蓝X-ARL（活性蓝4）是一种深蓝色粉末，在水中溶解度 (20℃) 为 80g/L，(50℃) 为 90g/L。在强硫酸中呈红棕色，稀释后转为蓝色；在硝酸中显橙色，稀释后无变化。水溶液是蓝色的，加入1mol/L 氢氧化钠仍保持蓝色；继续加入保险粉并温热后变为暗红色；再加过硼酸钠转为红色，稀释后颜色不发生变化。化学性质较为活泼，稳定性较差，在碱性条件下容易发生水解，但在酸性条件下则不易水解。

用途

活性艳蓝X-ARL（活性蓝4）又称活性艳蓝X-BR，是一种用于棉布直接印花的少数品种之一，主要用于染色和印花。它适用于棉、丝、粘胶等织物，并且与活性红紫S-2R（用量5%）拼染玫瑰红色；与活性嫩黄X-6G拼染绿色，比例为10：1。此外，在针棉织品漂白时，可作为上蓝剂增加白度。

生物活性

Reactive Blue 4 是一种蒽醌类染料，能在水介质中连续测定具有不同光学响应的多种分析物，并作为一种单一的比色化学传感器使用。它还表现出植物毒性、细胞毒性和基因毒性。

生产方法

活性艳蓝X-BR 的生产主要以溴氨酸、2,4-二氨基苯磺酸和三聚氯氰为原料，首先将 2,4-二氨基苯磺酸与溴氨酸缩合，然后进一步与三聚氯氰进行第二次缩合。具体步骤如下：

1. 往第一次缩合锅中加入500L清水，在搅拌下升温至85℃。
2. 加入191kg 溴氨酸（100%），搅拌形成均匀悬浮液（总体积约 1000L）。
3. 接着，加入112.8kg 2,4-二氨基苯磺酸（100%）、200kg 碳酸氢钠（100%），升温至85℃并保温30分钟。随后加入10kg 氯化亚铜（不含游离亚硫酸钠）溶液，控制温度在83-85℃，pH=9 反应3小时。
4. 在90℃继续保温2小时后加水稀释至4500L，搅拌15分钟后加入轻质碳酸钙150kg，在75-80℃下搅拌30分钟，趁热过滤除去紫色副品染料。
5. 将滤液倒入中和锅内，用盐酸调节pH=2，并添加溶液体积的10%-15%食盐。充分搅拌后取样测终点（以滤纸上无蓝色渗圈为终点），过滤得精制滤饼。
6. 在溶解锅内加水1000L，在搅拌下加入30kg碳酸钠和精制滤饼，打浆并调整体积至3000L，pH=7.5，获得精制液。
7. 将上述精制液倒入第二次缩合锅中。先在0℃以下打浆45分钟，再加入81.1kg（约0.44kmol）三聚氯氰，在15℃下调整体积至4500L并搅拌1小时。加入磷酸三钠使pH值约为6.5；继续搅拌3小时，并保持pH在6.3-6.5之间，温度不超过18℃后过滤，去除三聚氯氰杂质。
8. 最终将滤液收集于盐析锅中，加入尿素26.4kg（约0.44kmol），升温至43℃。加入总体积20%的食盐，在40-42℃下搅拌2小时后取样，过滤得染料约410kg。

反应信息

• 作为反应物：
  描述：

  gadolinium(III) nitrate 、 活性艳蓝X-ARL 以 水 为溶剂， 生成
  参考文献：
  名称：

  一些二元和三元蒽醌配合物的电学性质

  摘要：

  摘要 一些M:LI、M:LII和M:LI:LII型固体配合物的电学行为，其中M = Cr 3+ , Mn 2+ , Fe 3+ , Co 2+ , Cu 2+ , Nd 3 + 、Gd 3+ 、Dy 3+ 和Er 3+ 而LI 和LII 是蒽醌衍生物，在298–450 K 的温度范围内进行了研究。这些配合物显示出半导体性。传导机制是在跳跃理论的基础上解释的。使用电导滴定、红外和 X 射线衍射技术确定复合物的组成。

  DOI：

  10.1016/0022-3697(94)90181-3
• 作为产物：
  描述：

  三聚氯氰 、 1-氨基-4-[(3-氨基-4-磺基苯基)氨基]-9,10-二氧代蒽-2-磺酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.75h， 生成 活性艳蓝X-ARL
  参考文献：
  名称：

  WO2006/108760

  摘要：

  公开号：

文献信息

• Organic Colorant Complexes from Reactive Dyes and Articles Containing the Same
  申请人：Milliken & Company

  公开号：US20150299468A1

  公开（公告）日：2015-10-22

  An organic colorant complex with the following general structure: AB n (DE) m T x Q y wherein A is an organic chromophore; B is an electrophilic reactive group covalently bonded to A directly or through a linking group; D is a nucleophilic linking group covalently bonding B and E, selected from the group consisting of NR, O, S, and 4-oxyanilino (—HN-Ph-O—); wherein R is selected from the group consisting of H, alkyl, aryl, and E; E is an organic alkyl and aryl group or an end group; T is an ionic group covalently linked to A; O is an organic cation, bonded to the organic chromophore A through ionic interaction with T; n, m, x, and y are independent integers from 1 to 10.

  具有以下一般结构的有机着色剂复合物：ABn(DE)mTxQy其中A是有机色团；B是与A直接或通过连接基团共价键合的亲电性反应基团；D是共价键合B和E的亲核连接基团，选自NR、O、S和4-氧基苯胺基（—HN-Ph-O—）组成的群；其中R选自H、烷基、芳基和E组成的群；E是有机烷基和芳基或末端基团；T是与A共价连接的离子基团；O是有机阳离子，通过与T的离子相互作用与有机色团A结合；n、m、x和y是独立的1至10之间的整数。
• Hydrogel Prodrugs
  申请人：ASCENDIS PHARMA A/S

  公开号：US20150258205A1

  公开（公告）日：2015-09-17

  The present invention relates to a process for the preparation of a hydrogel and to a hydrogel obtainable by said process. The present invention further relates to a process for the preparation of a hydrogel-spacer conjugate, to a hydrogel-spacer conjugate obtainable by said process, to a process for the preparation of a carrier-linked prodrug and to carrier-linked prodrugs obtainable by said process, in particular to carrier-linked prodrugs that provide for a controlled or sustained release of a drug from a carrier. In addition, the invention relates to the use of the hydrogel for the preparation of a carrier-linked prodrug.

  本发明涉及一种制备水凝胶的方法，以及通过该方法可获得的水凝胶。本发明还涉及一种制备水凝胶-间隔物共轭物的方法，以及通过该方法可获得的水凝胶-间隔物共轭物，还涉及一种制备载体连结的前药的方法，以及通过该方法可获得的载体连结的前药，特别是提供了能够从载体中控制或持续释放药物的载体连结的前药。此外，本发明涉及使用水凝胶制备载体连结的前药。
• [EN] PROTECTING GROUP COMPRISING A PURIFICATION TAG<br/>[FR] GROUPE PROTECTEUR COMPRENANT UNE ÉTIQUETTE DE PURIFICATION
  申请人：ASCENDIS PHARMA AS

  公开号：WO2015052155A1

  公开（公告）日：2015-04-16

  The present invention relates to compounds comprising a protecting group moiety-tag moiety conjugate, a method of purification and monoconjugates obtained from such method of purification.

  本发明涉及包含保护基团-标记基团共轭物的化合物，以及一种纯化方法和从该纯化方法获得的单共轭物。
• ORGANIC PHOTOVOLTAIC-BATTERY HYBRID DEVICE
  申请人：Frazier Rachel M.

  公开号：US20120318348A1

  公开（公告）日：2012-12-20

  Photoactive layers for use in a photovoltaic cell are described. The photoactive layers comprise at least one photoactive ion paired with another ion. This photoactive ion pair can be in the form of an ionic liquid, hydrogen bonded ion pair, cocrystal, or complex to allow for greater flexibility and portability. Also described are photovoltaic cells that contain the described photoactive layers sandwiched between two electrodes.

  描述了用于光伏电池的光活性层。光活性层包括至少一种与另一种离子配对的光活性离子。这种光活性离子对可以采用离子液体、氢键离子对、共晶或复合物的形式，以实现更大的灵活性和便携性。还描述了包含所述光活性层的光伏电池，夹在两个电极之间。
• MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME
  申请人：Johnson & Johnson Vision Care, Inc.

  公开号：US20130203813A1

  公开（公告）日：2013-08-08

  The present invention relates to ionic silicone hydrogel polymers comprising at least one pharmaceutical or nutriceutical component and displaying improved lysozyme uptake, low contact angle and reduced water soluble polymeric ammonium salt uptake.

  本发明涉及离子硅氢凝胶聚合物，其中包含至少一种药物或营养成分，并具有改进的溶菌酶摄取、低接触角和减少的可溶性聚合物铵盐摄取。