2-氨基-1,4-苯二磺酸 | 98-44-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸的卤化、磺化、硝化或亚硝化衍生物
• 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: 2-氨基-1,4-苯二磺酸
• 中文别名: 苯胺-2,5-二磺酸；苯胺-2,5-双磺酸
• 英文名称: amino-benzene-1,4-disulfonic acid
• 英文别名: aniline-2,5-disulfonic acid；2-aminobenzene-1,4-disulfonic acid
• CAS: 98-44-2
• 化学式: C₆H₇NO₆S₂
• mdl: MFCD00035753
• 分子量: 253.257
• InChiKey: LDCCBULMAFILCT-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 沸点：
  497.5℃[at 101 325 Pa]
• 密度：
  1.569 (estimate)
• 溶解度：
  可溶于酸性水溶液（轻微）、水（轻微）
• LogP：
  -3.43 at 25℃
• 物理描述：
  DryPowder
• 稳定性/保质期：
  避免与强氧化剂接触。 有毒，对皮肤有刺激性，在操作过程中应注意避免吸入或吞食。操作人员应穿戴防护用具以防止皮肤沾染。大鼠经口LD₅₀为7760毫克/千克。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2921499090
• RTECS号：
  CZ9250000
• 储存条件：
  1. 储存在阴凉、通风的库房中，远离火源和热源，保持容器密封，并与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料以收容泄漏物。 2. 采用内衬塑料袋的木桶进行包装，每桶重50公斤。存储于阴凉、通风且干燥的地方，防热、防火、防潮，并按有毒化学品规定贮运。

SDS

Name:	2 5-Disulfoaniline 95% Material Safety Data Sheet
Synonym:
CAS:	98-44-2

Section 1 - Chemical Product MSDS Name:2 5-Disulfoaniline 95% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
98-44-2	2,5-Disulfoaniline	95%	202-669-6

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 98-44-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H7NO6S2
Molecular Weight: 253.2

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 98-44-2: CZ9250000 LD50/LC50:
CAS# 98-44-2: Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, skin: 500 mg/24H Mild.
Carcinogenicity:
2,5-Disulfoaniline - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 98-44-2: 1
Canada
CAS# 98-44-2 is listed on Canada's NDSL List.
CAS# 98-44-2 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-44-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质
黄色结晶，易溶于水和乙醇。

用途
用作染料中间体，主要用于制造直接耐晒蓝RGL、活性翠蓝KGL、活性嫩黄和活性橙等。

生产方法
间氨基苯磺酸经发烟硫酸磺化后冷却，加水稀释并升温加入活性炭在95℃搅拌脱色，过滤后，在滤液中加入食盐进行盐析而得。原料消耗定额：间氨基苯磺酸（工业品）715kg/t、发烟硫酸（SO3 20%）2810kg/t、精盐（工业品）1273kg/t、活性炭22kg/t。

类别
有毒物品

刺激数据
皮肤-兔子，500毫克/24小时，轻度；眼睛-兔子，100毫克/24小时，中度。

可燃性危险特性
可燃，燃烧时产生有毒氮氧化物和硫氧化物烟雾。

储运特性
库房需通风、低温干燥。

灭火剂
干粉、泡沫、砂土、二氧化碳及雾状水。

反应信息

• 作为反应物：
  描述：

  2-氨基-1,4-苯二磺酸 在 sodium amalgam 作用下， 生成 3-氨基苯磺酸
  参考文献：
  名称：

  DE255724

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氨基苯磺酸 在 硫酸 作用下， 生成 2-氨基-1,4-苯二磺酸
  参考文献：
  名称：

  Zander, Justus Liebigs Annalen der Chemie, 1879, vol. 198, p. 10

  摘要：

  DOI：

文献信息

• [EN] WATER SOLUBLE AND WATER FAST DYES FOR INK JET PRINTING<br/>[FR] COLORANTS HYDROSOLUBLES ET SOLIDES À L'EAU POUR L'IMPRESSION PAR JET D'ENCRE
  申请人：ILFORD IMAGING CH GMBH

  公开号：WO2013139485A1

  公开（公告）日：2013-09-26

  The invention relates to azo dyes of desulfo-K-acid [CA: 35400-55-6], their salts, a method for the preparation of these dyes, or salts thereof, a liquid phase comprising at least one of these dyes, a method for applying the liquid phase on a substrate, a printed matter and the use of these dyes in water-based inks for inkjet printing, in writing utensil or dyeing solutions for manufacturing color filters for optical and opto-electronic applications.

  本发明涉及去磺酸K酸偶氮染料[CA: 35400-55-6]，它们的盐，制备这些染料或其盐的方法，至少包含一种这些染料的液相，将液相施加到基底上的方法，印刷品以及这些染料在水基喷墨打印油墨、书写工具或用于制造用于光电子应用的彩色滤光片的染色溶液中的用途。
• A new kind of H-acid monoazo-anthraquinone reactive dyes with surprising colour
  作者：Bin Shan、Xing Tong、Wei Xiong、Wenzhu Qiu、Bingtao Tang、Rongwen Lu、Wei Ma、Yi Luo、Shufen Zhang

  DOI：10.1016/j.dyepig.2015.07.001

  日期：2015.12

  were a kind of blue dyes. 1H NMR and 13C NMR results revealed that there were two kinds of tautomerisms in dye structure and a new conjugated system formed between the anthraquinone ring and the phenyl azo linkage. Density functional theory (DFT) calculations also proved the formation of the new larger conjugated system from which the blue colour was generated. The fixations of the dyes on cotton were

  以1,4-双（（4-氨基苯基）氨基）蒽-9,10-二酮为重氮组分和1-氨基-8-萘酚-3为原料，得到了一种新型的同时含有单偶氮和蒽醌发色团的活性染料，以6-二磺酸（H-酸）衍生物为偶合组分。通过UV-Vis，IR，MS，1 H NMR和13 C NMR表征染料。结果表明，该染料的最大吸收波长均为590 nm左右，表明它们是一种蓝色染料。1 H NMR和1313 C NMR结果表明，染料结构中存在两种互变异构现象，蒽醌环与苯基偶氮键之间形成了新的共轭体系。密度泛函理论（DFT）的计算也证明了形成新的较大共轭体系的产生，蓝色是由该体系生成的。染料在棉布上的固色率超过88％，日晒牢度达到5级。
• Synthesis, spectroscopic characteristics, dyeing performance and TD-DFT study of quinolone based red emitting acid azo dyes
  作者：Suvidha Shinde、Nagaiyan Sekar

  DOI：10.1016/j.dyepig.2019.04.028

  日期：2019.9

  novel fluorescent heterocyclic acid dyes were prepared by diazotizing various sulphonic acid based amines and coupling with 4-hyrdoxyl-1-methyl-2(1H)-quinolone. Structures of synthesized dyes were well supported by 1H NMR, 13C NMR, Mass spectroscopy, FTIR and elemental analysis. The effect of high molecular weight and heterocyclic moiety were observed to have significant influence on photophysical properties

  通过重氮化各种磺酸基胺并与4-羟基-1-甲基-2（1H）-喹诺酮偶联制备八种新型荧光杂环酸染料。合成染料的结构得到1 H NMR的良好支持，1313 C NMR，质谱，FTIR和元素分析。观察到高分子量和杂环部分的影响对染料的光物理性质，色值和坚牢度性能具有显着影响。邻位至偶氮键的取代在增强染料的耐光牢度和耐洗牢度方面起着重要作用。在羊毛，尼龙和丝绸基质上评估了所有染料的染色特性。对染色织物的紫外线防护因子（UPF）的评估表明，这些染料可用于制造紫外线防护织物。使用DFT计算来计算染料的互变异构形式的稳定性，并找出所制备染料的亲电指数。TD-DFT用于研究结构对光物理性质的影响。
• Anthrapyridone Compound and Salt Thereof, Magenta Ink Composition Containing the Anthrapyridone Compound, and Colored Article
  申请人：Matsumoto Hiroyuki

  公开号：US20100221502A1

  公开（公告）日：2010-09-02

  The present invention relates to a novel anthrapyridone compound represented by the following formula (1) (wherein, R 1 represents a hydrogen atom, an alkyl group and the like, R 2 represents a hydrogen atom, an alkyl group, a phenyl group, a phenoxy group and the like, R 3 represents a hydrogen atom, or a methoxy group, X represents an anilino group which may have a substituent such as a sulfonic acid group; a naphthylamino group which may be substituted by a sulfonic acid group; a mono- or di-alkylamino group which may have a substituent such as a sulfonic acid group; an aralkylamino group; a cycloalkylamino group; a phenoxy group which may have a substituent such as a sulfonic acid; a hydroxy group; an amino group; and the like, Y represents a chlorine atom; a hydroxy group; an amino group; and the like) in free acid form, an ink composition containing the same and a colored article using the same, and images recorded by an ink for inkjet recording containing said compound have high vividness and exhibit superior light fastness and ozone gas fastness.

  本发明涉及一种由以下式（1）表示的新型蒽吡啶酮化合物 （其中，R 1 代表氢原子、烷基等，R 2 代表氢原子、烷基、苯基、苯氧基等，R 3 代表氢原子或甲氧基，X代表可能具有磺酸基等取代基的苯胺基；可能被磺酸基取代的萘胺基；可能具有磺酸基等取代基的单烷基或双烷基胺基；芳基烷胺基；环烷基胺基；可能具有磺酸基等取代基的苯氧基；羟基；氨基等，Y代表氯原子；羟基；氨基等） 在游离酸形式中，含有该化合物的墨水组成物和使用该墨水组成物的彩色物品，以及由含有该化合物的喷墨记录墨水记录的图像具有高鲜艳度，并表现出优越的耐光性和臭氧气体耐久性。
• [EN] IMPROVEMENTS RELATING TO OPTICAL BRIGHTENING AGENTS<br/>[FR] AMELIORATION RELATIVES DES AGENTS D'AZURAGE OPTIQUES
  申请人：CLARIANT INT LTD

  公开号：WO2006000573A1

  公开（公告）日：2006-01-05

  The instant invention relates to stilbene optical brightening agents which combine a high solubility in water while providing superior fluorescent whitening effects when applied to the surface of paper in either the size-press or in a pigmented coating composition and which show a reduced anionic charge. The instant optical brighteners may also be used for finishing of textiles.

  该瞬时发明涉及苯乙烯类光亮增白剂，其在水中具有高溶解度，同时在应用于纸张表面时提供优越的荧光增白效果，无论是在尺寸压或者在有颜料的涂料组合中，并且显示出降低的阴离子电荷。该瞬时光亮增白剂也可用于纺织品的整理。