氢醌-О,О'-二乙酸 | 2245-53-6

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪酸
• 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: 氢醌-О,О'-二乙酸
• 中文别名: 氢醌-О，О′-二乙酸；氢醌-O,O'-二乙酸；对苯二酚-O,O'-二乙酸；氢醌-O,O"-二乙酸
• 英文名称: 2,2'-[1,4-phenylenebis(oxy)]bisacetic acid
• 英文别名: hydroquinone-O,O'-diacetic acid；hydroquinone-o,o’-diacetic acid；Acetic acid, 2,2'-[1,4-phenylenebis(oxy)]bis-；2-[4-(carboxymethoxy)phenoxy]acetic acid
• CAS: 2245-53-6
• 化学式: C₁₀H₁₀O₆
• mdl: MFCD00016816
• 分子量: 226.186
• InChiKey: DNXOCFKTVLHUMU-UHFFFAOYSA-N

物化性质

• 熔点：
  248-251 °C
• 沸点：
  287.79°C (rough estimate)
• 密度：
  1.2437 (rough estimate)
• 稳定性/保质期：
  避免让氧化物直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2918990090
• 储存条件：
  请将容器密封，并将其存放在紧密封装的容器中，保管在阴凉、干燥的地方。

SDS

Name:	Hydroquinone-O O -diacetic acid Material Safety Data Sheet
Synonym:
CAS:	2245-53-6

Section 1 - Chemical Product MSDS Name:Hydroquinone-O O -diacetic acid Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2245-53-6	Hydroquinone-O,O'-diacetic acid		218-834-0

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:

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Use only in a chemical fume hood.
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# 2245-53-6: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 248 - 251 deg C
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: C10H10O6
Molecular Weight: 226.19

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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.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2245-53-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Hydroquinone-O,O'-diacetic acid - Not listed by ACGIH, IARC, or NTP.

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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# 2245-53-6: No information available.
Canada
CAS# 2245-53-6 is listed on Canada's NDSL List.
CAS# 2245-53-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2245-53-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  氢醌-О,О'-二乙酸 在 溴 、 溶剂黄146 作用下， 生成 2,5-dibromo-1,4-benzenedioxydiacetic acid
  参考文献：
  名称：

  Ettel et al., Collection of Czechoslovak Chemical Communications, 1950, vol. 15, p. 1050,1064

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl 2,2'-(phen-1,4-ylenedioxy)bis(acetate) 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以95.4%的产率得到氢醌-О,О'-二乙酸
  参考文献：
  名称：

  A color-tunable fluorescent pillararene coordination polymer for efficient pollutant detection

  摘要：

  一种具有可调颜色的柱芳烃配位聚合物（DCP5-Eu₁Tb₃），具有引人注目的白光发射特性，并能够在生物平台中检测硝基芳香污染物，已被构建。

  DOI：

  10.1039/c9ta13776a
• 作为试剂：
  描述：

  2-cyanoethoxy-N,N'-diisopropylamino-(6-N-benzoyl-2',3'-di-O-isobutyryl-β-D-adenyl-5'-yl)phosphine 、 在 吡啶 、 乙酸酐 、 4-二甲氨基吡啶 、 氢醌-О,О'-二乙酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 吡啶 为溶剂， 反应 32.0h， 以34%的产率得到
  参考文献：
  名称：

  定义明确的二磷酸腺苷核糖低聚物的合成

  摘要：

  翻译后的蛋白质修饰称为二磷酸腺苷核糖基化（ADPr），可调节多种重要的生物学过程，例如DNA损伤修复和细胞代谢。该修饰也参与致癌作用和衰老过程。因此，更好地了解ADP核糖基化的功能对于开发新型疗法至关重要。为了便于阐明ADPr的生物学特性，必须使用定义明确的聚（ADP-核糖）片段。本文中，我们报告了一种固相合成方法，用于制备长度精确确定的ADP-核糖低聚物。该方法以首次报道的ADP核糖二聚体和三聚体的合成为例。

  DOI：

  10.1002/anie.201412283

文献信息

• Universal building blocks and support media for synthesis of oligonucleotides and their analogs
  申请人：——

  公开号：US20040152905A1

  公开（公告）日：2004-08-05

  Compounds for the synthesis of oligomeric compounds, particularly oligonucleotides and chemically modified oligonucleotide analogs, are provided. In addition, methods for functionalization of a support medium with a first monomeric subunit and methods for the synthesis of oligomeric compounds utilizing the novel compounds bound to support media are provided.

  提供用于合成寡聚化合物，特别是寡核苷酸和化学修饰的寡核苷酸类似物的化合物。此外，还提供了将支持介质功能化为第一单体亚基的方法，以及利用与支持介质结合的新化合物合成寡聚化合物的方法。
• Catalyst-Free Photoredox Addition-Cyclisations: Exploitation of Natural Synergy between Aryl Acetic Acids and Maleimide
  作者：David W. Manley、Andrew Mills、Christopher O'Rourke、Alexandra M. Z. Slawin、John C. Walton

  DOI：10.1002/chem.201304929

  日期：2014.4.25

  Suitably functionalised carboxylic acids undergo a previously unknown photoredox reaction when irradiated with UVA in the presence of maleimide. Maleimide was found to synergistically act as a radical generating photoxidant and as a radical acceptor, negating the need for an extrinsic photoredox catalyst. Modest to excellent yields of the product chromenopyrroledione, thiochromenopyrroledione and

  当在马来酰亚胺存在下用 UVA 照射时，适当官能化的羧酸会发生以前未知的光氧化还原反应。发现马来酰亚胺协同作用作为产生自由基的光氧化剂和作为自由基受体，不需要外在的光氧化还原催化剂。在 13 次制备性光解中获得了中等至极好的产率的产物色基吡咯二酮、硫代色基吡咯二酮和吡咯并喹啉二酮衍生物。原位核磁共振光谱用于研究每个反应。监测反应物衰变和产物堆积，从而绘制反应曲线。一种似是而非的机制，即光激发的马来酰亚胺充当氧化剂以产生自由基离子对，已被假设并得到 UV/Vis 的支持。光谱和 DFT 计算。
• [EN] POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS<br/>[FR] CONSTRUCTIONS POLYNUCLÉOTIDIQUES CONTENANT DES GROUPES DISULFURE
  申请人：SOLSTICE BIOLOG LTD

  公开号：WO2015069932A1

  公开（公告）日：2015-05-14

  The invention features polynucleotide constructs containing one or more components (i) containing a disulfide linkage, where each of the one or more components is attached to an internudeotide bridging group or a terminal group of the polynucleotide construct, and each of the one or more components (i) contains one or more bulky groups proximal to the disulfide group. The invention also features polynucleotide constructs containing one or more components (i) containing a disulfide linkage, where each of the one or more components (i) is attached to an internudeotide bridging group or a terminal group of the polynucleotide construct, and each of the one or more components (i) contains at least 4 atoms in a chain between the disulfide linkage and the phosphorus atom of the internudeotide bridging group or the terminal group; and where the chain does not contain a phosphate, an amide, an ester, or an alkenylene. The invention also features methods of delivering a polynucleotide to a cell using the polynucleotide constructs of the invention.

  该发明涉及包含一个或多个组分（i）的聚核苷酸构造，其中每个一个或多个组分连接到聚核苷酸构造的一个核苷酸桥连基团或末端基团上，每个一个或多个组分（i）包含靠近二硫键的一个或多个臃肿基团。该发明还涉及包含一个或多个组分（i）的聚核苷酸构造，其中每个一个或多个组分（i）连接到聚核苷酸构造的一个核苷酸桥连基团或末端基团上，每个一个或多个组分（i）在二硫键和核苷酸桥连基团或末端基团的磷原子之间的链中至少包含4个原子；并且该链不包含磷酸酯、酰胺、酯或烯基烃。该发明还涉及使用该发明的聚核苷酸构造将聚核苷酸传递到细胞的方法。
• Novel Fluoride-Labile Nucleobase-Protecting Groups for the Synthesis of 3′(2′)-O-Aminoacylated RNA Sequences
  作者：Alfred Stutz、Claudia Höbartner、Stefan Pitsch

  DOI：10.1002/1522-2675(20000906)83:9<2477::aid-hlca2477>3.0.co;2-9

  日期：2000.9.6

  a general approach to a total synthesis of amino-acylated t-RNAs and analogs, we describe the synthesis of stabilized, amino-acylated RNA fragments, which, upon ligation, could lead to amino-acylated t-RNA structures. Novel RNA phosphoramidites with fluoride-labile 2'-O-[(triisopropylsilyl)-oxy]methyl (=tom) sugar-protecting and N-2-[(triisopropylsilyl)oxy]benzyl}oxy}carbonyl (=tboc) base-protecting

  为了开发一种全合成氨酰化 t-RNA 和类似物的通用方法，我们描述了稳定的氨酰化 RNA 片段的合成，这些片段在连接后可能导致氨酰化 t-RNA 结构. 具有氟化物不稳定的 2'-O-[(三异丙基甲硅烷基)-氧基]甲基 (=tom) 糖保护和 N-2-[(三异丙基甲硅烷基)氧基]苄基}氧基}羰基 (=tboc) 碱基的新型 RNA 亚磷酰胺制备了-保护基团，以及固体支持物。具有正交（光不稳定）2'-O-[(S)-1-(2-硝基苯基)乙氧基]甲基 (=(S)-npeom) 基团的固定化 N6-tboc 保护腺苷。从这些构件中，制备了六聚体寡核糖核苷酸。通过标准下的自动合成。条件。脱离固体支撑物后，得到的完全受保护的序列用 L-苯丙氨酸衍生物氨基酰化。携带光不稳定的N-保护基团。在去除氟化物不稳定的糖和核碱基保护基团后，获得了仍然稳定的、部分用光不稳定基团保护的氨基酰化RNA序列的前体。温和条件下的光解导致
• FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM
  申请人：Bezwada Rao S.

  公开号：US20090170927A1

  公开（公告）日：2009-07-02

  The present invention relates to compounds of formula I, which are functionalized phenolic compounds, and polymers formed from the same. Ar—[O—(X) p —R′] q I Polymers formed from the functionalized phenolics are expected to have controllable degradation profiles, enabling them to release an active component over a desired time range. The polymers are also expected to be useful in a variety of medical applications.

  本发明涉及公式I的化合物，这些化合物是官能化酚类化合物，以及由它们形成的聚合物。从官能化酚类化合物形成的聚合物预计具有可控的降解特性，使它们能够在所需的时间范围内释放活性成分。这些聚合物还预计在各种医疗应用中有用。

表征谱图