indophenol sodium salt | 5418-32-6

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: indophenol sodium salt
• 英文别名: indophenol blue；indophenol；N-(4-sodiooxyphenyl)-p-benzoquinone monoimine；2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-, sodium salt；sodium;4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
• CAS: 5418-32-6
• 化学式: C₁₂H₈NO₂*Na
• 分子量: 221.191
• InChiKey: FRUIYGAEJNTDCA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.47
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

SDS

Name:	Indophenol Sodium Salt 95% (UV-Vis) Material Safety Data Sheet
Synonym:	4-(P-Hydroxyphenyl)-2,5-Cyclohexadiene-1-One Sodium Salt
CAS:	5418-32-6

Section 1 - Chemical Product MSDS Name:Indophenol Sodium Salt 95% (UV-Vis) Material Safety Data Sheet
Synonym:4-(P-Hydroxyphenyl)-2,5-Cyclohexadiene-1-One Sodium Salt

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5418-32-6	2,5-Cyclohexadien-1-One, 4-(4-Hydroxyp	95	226-524-1

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 5418-32-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: green to black powder
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H8NNaO2
Molecular Weight: 221.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, sodium oxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5418-32-6: GU5780000 LD50/LC50:
Not available.
Carcinogenicity:
2,5-Cyclohexadien-1-One, 4-(4-Hydroxyphenyl)iminO-, Sodium salt - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5418-32-6: No information available.
Canada
CAS# 5418-32-6 is listed on Canada's DSL List.
CAS# 5418-32-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5418-32-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  苯酚 在 sodium hypochlorite 、 sodium nitroprusside dihyrate 、 碳酸氢铵 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.33h， 生成 indophenol sodium salt
  参考文献：
  名称：

  纳米晶氮化亚铜的制备与不稳定性

  摘要：

  使用氨（NH 3）或尿素（H 2 NCONH 2）作为氮源，通过氧化亚铜（Cu 2 O）纳米晶体的氮化（氨解）合成低维氮化亚铜（Cu 3 N）。在室温下，在空气中存在水和氧气的情况下，所得纳米晶态的Cu 3 N自发地分解为纳米晶态的CuO。使用比色吲哚酚法测量时，氨在Cu 3 N分解过程中以60％的化学收率产生。因为Cu 3 N分解需要H 2 O并产生亚化学计量的NH 3，我们得出结论，该反应通过复杂的化学计量进行，该化学计量涉及N 2和NH 3的伴随释放。这是热力学上不利的结果，强烈表明H 2 O（因而产生NH 3）通过降低Cu 3 N分解的能垒来促进反应动力学。三种不同的Cu 2 O，Cu 3N和CuO纳米晶相的特征是结合了光吸收，粉末X射线衍射，透射电子显微镜和通过对大块固体进行电子结构计算获得的态的电子密度。这些有趣且廉价的材料之间的相对易转换对催化和光电应用可能具有影响。

  DOI：

  10.1021/acs.inorgchem.5b00679

文献信息

• Mechanism of the Gibbs Reaction. Part 4.¹ Indophenol Formation via <i>N</i>-Chlorobenzoquinone Imine Radical Anions. The Aza-S_RN2 Chain Reaction Mechanism. Chain Initiation with 1,4-Benzoquinones and Cyanide Ion
  作者：István Pallagi、András Toró、Gyula Horváth

  DOI：10.1021/jo982113v

  日期：1999.9.1

  combination of the radical pair in the solvent cage and, consequently, the total rate of which exhibits a pH-independent second-order kinetics, as does the preceding SET itself. For less reactive reagents, a route is proposed in which the N-chloroimine radical anion 7 escapes from the solvent cage to initiate a chain reaction, evidenced by its characteristic kinetics. It has been found in the kinetic experiments

  研究了吉布斯反应的机理，这是一种在水性碱性介质中应用N-氯苯醌亚胺1的比色酚测定法。结论是，从酚4的阴离子到N-氯亚胺1的单电子转移（SET）中生成的N-氯亚胺基自由基阴离子7可以三种不同的方式产生吲哚酚染料3。对于更具反应性的试剂-底物对，提出了一种路线，其中涉及自由基对在溶剂笼中的快速结合，因此，总的速率表现出与pH无关的二级动力学，就像前面的SET本身一样。对于反应性较小的试剂，提出了一种途径，其中N-氯亚胺自由基阴离子7从溶剂笼中逸出以引发链反应，这由其特征动力学证明。在动力学实验中已经发现，在双分子速率确定步骤中，在链增长的过程中，链载体N-氯亚胺自由基阴离子7的氯被4的阴离子取代。因此，链反应的机理被称为S（RN）2。在4的阴离子活性较低的情况下，可以进行第三种竞争反应，其中N-卤代亚胺基阴离子7通过消除卤化物和从介质中提取H原子而生成苯醌亚胺6。 。还已知化合物6以二阶但pH
• Investigations of the Reactions of Monochloramine and Dichloramine with Selected Phenols:  Examination of Humic Acid Models and Water Contaminants
  作者：Victor L. Heasley、Audra M. Fisher、Erica E. Herman、Faith E. Jacobsen、Evan W. Miller、Ashley M. Ramirez、Nicole R. Royer、Josh M. Whisenand、David L. Zoetewey、Dale F. Shellhamer

  DOI：10.1021/es030644h

  日期：2004.10.1

  different orientations in their reactions with the substituent phenols. Indophenol (as its salt) was formed to a minor extent at high pH but not at pH 9. Both NH2Cl and NHCl2 rapidly replaced the parachlorine in 2,4,6-trichlorophenol (4) to give a mixture of 2,6-dichloro-1,4-benzoquinone-4-(N-chloro) imine (5) and 2,6-dichloro-1,4-benzoquinone (18). Similar reactions occurwith 2,4,6-trichloro-m-cresol

  我们的论文报道了两种常见的苯酚（苯酚（2）和间甲酚（3））以及它们的一些氯化中间体与单氯胺水溶液NH2Cl和二氯胺氯化钠的反应性和方向。我们还检查了2,4,6-三氯苯酚（4）与氯胺的进一步反应性。苯酚是重要的研究领域，因为它们是腐殖酸中的取代基，并且是水中的常见污染物。发现使用两种氯化剂，间甲酚（3）比酚（2）更具反应性。NH2Cl和NHCl2都具有足够的反应性，可以对羟基邻位和对位的所有位置进行氯化。一氯胺和二氯胺在与取代基苯酚的反应中显示相同的取向，带有2个，但取向不同。在高pH值下会少量生成吲哚酚（作为其盐），而在pH值为9时不会生成。NH2Cl和NHCl2迅速取代了2,4,6-三氯苯酚（4）中的对氯，得到2,6-二氯-1,4-苯醌4-（N-氯）亚胺（5）和2， 6-二氯-1,4-苯醌（18）。2,4,6-三氯间甲酚（17）和2,4,6-三氯-3-甲氧基苯酚（29）发生类似的反应。通过质谱（El和Cl），1
• Interference in determination of ammonia with the hypochlorite-alkaline phenol method of Berthelot
  作者：T. T. Ngo、A. P. H. Phan、C. F. Yam、H. M. Lenhoff

  DOI：10.1021/ac00238a015

  日期：1982.1.1

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