1,1'-硫联二(2-萘酚) | 17096-15-0

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1,1'-硫联二(2-萘酚)
• 中文别名: 硫代二萘酚；1,1’-硫联二(2-萘酚)；1,1"-硫联二(2-萘酚)
• 英文名称: 1,1'-thiobis(2-naphthol)
• 英文别名: 1-(2-hydroxynaphthalen-1-yl)sulfanylnaphthalen-2-ol
• CAS: 17096-15-0
• 化学式: C₂₀H₁₄O₂S
• mdl: MFCD00046469
• 分子量: 318.396
• InChiKey: HGYMQZVPTMKXGI-UHFFFAOYSA-N

物化性质

• 熔点：
  216°C
• 沸点：
  525.2±35.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)
• 溶解度：
  溶于二甲基甲酰胺

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  F,C
• WGK Germany：
  3
• RTECS号：
  PA6700000
• 海关编码：
  2930909090
• 危险类别：
  3
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R34,R11
• 包装等级：
  II
• 危险品运输编号：
  UN 2733 3/PG 2
• 储存条件：
  室温、密封、干燥保存。

SDS

1,1'-Thiobis(2-naphthol) Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 1,1'-Thiobis(2-naphthol)

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 1,1'-Thiobis(2-naphthol)
Percent: >98.0%(LC)(T)
CAS Number: 17096-15-0
Synonyms: Bis(2-hydroxy-1-naphthyl) Sulfide , 1,1'-Thiodi(2-naphthol)
C20H14O2S
Chemical Formula:

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
1,1'-Thiobis(2-naphthol)

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Very pale reddish yellow
No data available
Odour:
1,1'-Thiobis(2-naphthol)

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:216°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Dimethylformamide(DMF)

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
1,1'-Thiobis(2-naphthol)

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,1'-硫联二(2-萘酚) 在 溴 、 溶剂黄146 作用下， 生成 1,6-二溴-2-萘酚
  参考文献：
  名称：

  Nolan; Smiles, Journal of the Chemical Society, 1912, vol. 101, p. 1424

  摘要：

  DOI：
• 作为产物：
  描述：

  1-thiocyanato-2-naphthol 在 sodium hydroxide 作用下， 生成 1,1'-硫联二(2-萘酚)
  参考文献：
  名称：

  192.脱氢-2-萘酚1-二硫化物的卤素衍生物

  摘要：

  DOI：

  10.1039/jr9330000786

文献信息

• A simple and efficient synthesis and dynamic NMR studies of some new podands of dithiocarbamates formed from bis(naphthyl) derivatives
  作者：Abbas Shockravi、Mahmood Kamali、Farhad Sorkhei、Reza Jafari

  DOI：10.1002/hc.20730

  日期：2011.9

  reaction of dithiocarbamate salts (IVa − c) with bis(naphthalene chloroacetates) (IIa,b) and bis(naphthalene ethoxybromide) (IIc) in dimethylformamide (DMF) furnished corresponding podands as Va − i in high to excellent yields. Three reacting ligands, (IIa,b) and (IIc), were obtained in the reaction of bis(naphthalene) (Ia,b) with chloroacetylchloride and 1,2-dibromoethane. Dynamic NMR spectroscopic

  二硫代氨基甲酸盐（IVa - c）与双（萘氯乙酸盐）（IIa，b）和双（萘乙氧基溴化物）（IIc）在二甲基甲酰胺（DMF）中的反应以高产率提供相应的荚果作为Va - i。在双（萘）（Ia，b）与氯乙酰氯和1,2-二溴乙烷的反应中获得了三个反应配体（IIa，b）和（IIc）。讨论了三个系列podands（Va-c，Vd-f和Vg-i）的动态NMR光谱数据，并计算了它们在聚结温度下的活化自由能（ΔGC≠）。由于硫代酰胺CN键的旋转和共振效应，这些podands的ΔGC≠s归因于14.5-18.3 kcal mol-1范围内的构象异构化。© 2011 Wiley Periodicals, Inc. 杂原子化学 22:659–668, 2011; 在 wileyonlinelibrary 在线查看这篇文章。com。DOI 10.1002/hc.20730
• [EN] ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF<br/>[FR] ANTAGONISTES/BLOQUEURS DES CANAUX IONIQUES ET LEURS UTILISATIONS
  申请人：SHANGHAI EAST HOSPITAL

  公开号：WO2021114313A1

  公开（公告）日：2021-06-17

  Provided are ion channel antagonists/blockers and uses thereof. Specifically, it provides the compounds of formula (I) or pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs, preparation method therefor and application thereof. Definition of each group in the formula can be found in the specification for details. Provided is also pharmaceutical composition useful for treatment of heart disease and other ion channel related diseases.

  提供了离子通道拮抗剂/阻断剂及其用途。具体而言，提供了式（I）的化合物或药用盐、立体异构体、溶剂合物或前药，其制备方法及应用。每个式中的各个基团的定义可在说明书中找到详细信息。还提供了用于治疗心脏病和其他离子通道相关疾病的药物组合物。
• SULFONIUM SALT, HEAT- OR PHOTO-ACID GENERATOR, HEAT- OR PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT THEREOF
  申请人：SAN APRO LTD.

  公开号：US20190284134A1

  公开（公告）日：2019-09-19

  The sulfonium salt does not contain a toxic metal and exhibits higher cationic polymerization performance and crosslinking performance than a tetrakis(pentafluorophenyl)borate salt. The heat- or photo-acid generator contains the sulfonium salt. The sulfonium salt is formed of a sulfonium cation selected from a group represented by general formulas (1), (9), (10) and (11) described below and a gallate anion represented by formula (a). The heat- or photo-acid generator contains the sulfonium salt. The heat- or energy ray-curable composition contains the acid generator and a cationically polymerizable compound. A cured product can be obtained by curing the same.

  硫铵盐不含有毒金属，表现出比四(五氟苯基)硼酸盐更高的阳离子聚合性能和交联性能。热或光酸发生剂含有硫铵盐。硫铵盐由下面描述的通用公式(1)、(9)、(10)和(11)所代表的一组硫铵阳离子和由公式(a)代表的镓酸根阴离子形成。热或光酸发生剂含有硫铵盐。热或能量射线固化组合物含有酸发生剂和阳离子聚合性化合物。通过固化可以获得固化产品。
• Human Papillomavirus and Risk of Laryngeal Cancer
  作者：Elaine M. Smith、Kurt F. Summersgill、Timothy McCulloch、Jeffrey Allen、Lubomir P. Turek、Henry T. Hoffman、Thomas H. Haugen

  DOI：10.1177/000348940010901114

  日期：2000.11

  We determined the relationship between human papillomavirus (HPV) infection and the HPV types detected in 44 patients with squamous cell carcinoma, 10 laryngeal leukoplakia patients, and 12 patients evaluated for benign laryngeal conditions (controls). The sources of HPV DNA were from brushings from the upper respiratory tract and lesion (benign or malignant), oral rinses, and biopsies of patient lesions. Polymerase chain reaction (PCR) and DNA sequencing were used to identify and type HPV. We detected HPV in 25.0% (11/44) of patients with laryngeal cancer, in 30.0% (3/10) of patients with laryngeal leukoplakia, and in 16.7% (2/12) of noncancer controls. Patients with cancer were not more likely to be identified with oncogenic HPV types (18.2%) than either the leukoplakia group (20%) or the control group (16.7%). An increased risk of disease was associated with current tobacco use and former alcohol drinking in cancer patients versus controls and in leukoplakia patients versus controls (all p < .05). After we controlled for tobacco and alcohol effects on the risk of disease, exposure to oncogenic HPV types was associated with an increased risk of laryngeal cancer (odds ratio = 3.0) and of laryngeal leukoplakia (odds ratio = 6.0) compared to controls, although the results were not statistically significant. This study suggests that although HPV infection and HPV oncogenic types are not found at a higher frequency in laryngeal cancer or laryngeal leukoplakia as compared to controls, infection is associated with an increased risk of disease after controlling for the effects of alcohol and tobacco use.

  我们确定了人乳头瘤病毒（HPV）感染与44名鳞状细胞癌患者、10名喉白斑患者和12名良性喉部疾病患者（对照组）检测到的HPV类型之间的关系。HPV DNA的来源包括来自上呼吸道和病变（良性或恶性）的刷拭、口腔漱洗和患者病变的活检。使用聚合酶链反应（PCR）和DNA测序来鉴定和分类HPV。我们在44名喉癌患者中检测到25.0%（11/44）的HPV，在10名喉白斑患者中检测到30.0%（3/10）的HPV，在非癌症对照组中检测到16.7%（2/12）的HPV。癌症患者更有可能被识别为致癌性HPV类型（18.2%）而不是白斑组（20%）或对照组（16.7%）。与对照组相比，癌症患者与白斑患者与疾病风险增加相关联，与目前吸烟和过去饮酒有关（所有p < .05）。在控制烟草和酒精对疾病风险的影响后，暴露于致癌性HPV类型与增加患喉癌（比值比=3.0）和患喉白斑（比值比=6.0）的风险相关联，尽管结果在统计学上不显著。该研究表明，尽管与对照组相比，在喉癌或喉白斑中HPV感染和HPV致癌类型的频率并不更高，但在控制酒精和烟草使用的影响后，感染与疾病风险增加相关联。
• Electrochemical, spectroelectrochemical and electrocatalytic properties of newly synthesized phthalocyanine compounds with 1,1′-thiobis(2-naphthol) groups
  作者：Sevinç Arucu、Meltem Betül Sağlam、Ali Rıza Özkaya

  DOI：10.1016/j.molstruc.2019.126883

  日期：2019.12

  Abstract In this work, the synthesis and characterization of new phthalocyanine compounds containing 1,1′-thiobis(2-napthol) units have been reported. The metal-free phthalocyanine, H2Pc 3 was synthesized by the cyclotetramerization of dinitrile derivative 2 in dry n-pentanol by a classical method. Metal phthalocyanines complexes, ZnPc 4 and CoPc 5 were prepared by the reaction of 2 with the corresponding

  摘要 在这项工作中，报道了含有 1,1'-硫代双（2-萘酚）单元的新型酞菁化合物的合成和表征。无金属酞菁 H2Pc 3 是通过二腈衍生物 2 在无水正戊醇中的环四聚反应通过经典方法合成的。金属酞菁配合物 ZnPc 4 和 CoPc 5 是通过 2 与相应的无水金属盐在正戊醇和 DBU 中反应制备的。原始化合物的结构通过元素分析、1H NMR、13C NMR、IR、质量和紫外-可见光谱数据进行鉴定。化合物的电化学氧化还原特性通过电分析技术如循环伏安法、方波伏安法和计时库仑法测定。原位光谱电化学测量也为电子转移过程的精确指定提供了额外的支持。这些化合物通常表现出基于单电子金属和/或配体的可逆或准可逆还原和氧化过程。发现这些过程伴随着明显的颜色变化，表明使用这些化合物作为电致变色材料的可能性。还在类似于燃料电池工作条件的介质中通过动态伏安法测试了化合物的电催化氧还原性能。CoPc 化合物通过涉及每个分子以两种不同方式转移总共