4-(4-羟基苯胺)-1,2-二氢萘-1,2-二酮 | 75140-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(4-羟基苯胺)-1,2-二氢萘-1,2-二酮
• 英文名称: 4-(4-hydroxy-anilino)-[1,2]naphthoquinone
• 英文别名: 4-(4-Hydroxy-anilino)-[1,2]naphthochinon；4-(4-Hydroxyanilino)-1,2-dihydronaphthalene-1,2-dione；4-(4-hydroxyanilino)naphthalene-1,2-dione
• CAS: 75140-07-7
• 化学式: C₁₆H₁₁NO₃
• 分子量: 265.268
• InChiKey: ZBFVKGMCQZUOEW-UHFFFAOYSA-N

物化性质

• 熔点：
  300°C
• 沸点：
  490.3±45.0 °C(Predicted)
• 密度：
  1.442±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	4-(4-Hydroxyanilino)-1 2-dihydronaphthalene-1 2-dione 97% Material Safety Data Sheet
Synonym:	4-(4-Hydroxyanilino)-1,2-naphthoquinon
CAS:	75140-07-7

Section 1 - Chemical Product MSDS Name:4-(4-Hydroxyanilino)-1 2-dihydronaphthalene-1 2-dione 97% Material Safety Data Sheet
Synonym:4-(4-Hydroxyanilino)-1,2-naphthoquinon

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
75140-07-7	4-(4-Hydroxyanilino)-1,2-dihydronaphth	97%	unlisted

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 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.
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# 75140-07-7: 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: dark brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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: C16H11NO3
Molecular Weight: 265

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 75140-07-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Hydroxyanilino)-1,2-dihydronaphthalene-1,2-dione - 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# 75140-07-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 75140-07-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 75140-07-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(4-羟基苯胺)-1,2-二氢萘-1,2-二酮 、 邻苯二胺 在 乙醇 作用下， 生成 4-benzo[a]phenazin-5-ylamino-phenol
  参考文献：
  名称：

  Ullmann; Gnaedinger, Chemische Berichte, 1912, vol. 45, p. 3441

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基苯酚盐酸盐 、 potassium 1,2-naphthoquinone-4-sulphonate 在 水 作用下， 生成 4-(4-羟基苯胺)-1,2-二氢萘-1,2-二酮
  参考文献：
  名称：

  Ullmann; Gnaedinger, Chemische Berichte, 1912, vol. 45, p. 3441

  摘要：

  DOI：

文献信息

• Synthesis of Substituted 4‐Arylamino‐1,2‐naphthoquinones in One‐Pot Reactions Using CotA‐Laccase as Biocatalyst
  作者：Ana Catarina Sousa、Iolanda Santos、M. F. M. M. Piedade、Lígia O. Martins、M. Paula Robalo

  DOI：10.1002/adsc.202000082

  日期：2020.8.19

  An efficient and environmentally benign biocatalytic strategy for the synthesis of substituted 4‐arylamino‐1,2‐naphthoquinones was developed, through a cross‐coupling reaction in which the 1,2‐naphthoquinone nucleus, formed in the biocatalytic process mediated by CotA‐laccase from Bacillus subtilis, is the key synthetic intermediate. Electrochemical data and kinetic parameters were determined revealing

  通过交叉偶联反应，开发了一种有效的，对环境有益的生物催化策略，用于合成取代的4-芳基氨基-1，2-萘醌，其中在由CotA-漆酶介导的生物催化过程中形成了1,2-萘醌核。来自枯草芽孢杆菌的是关键的合成中间体。测定了电化学数据和动力学参数，发现CotA-漆酶对4-氨基-3-羟基萘-1-磺酸（AHNSA）的特异性更高。CotA漆酶具有区分可氧化芳香胺的能力，可以在温和的反应条件下，在存在酶的情况下，在AHNSA和一组适当的芳香胺之间建立单罐反应。
• Ullmann; Gnaedinger, Chemische Berichte, 1912, vol. 45, p. 3441
  作者：Ullmann、Gnaedinger

  DOI：——

  日期：——