2,5-二氯苯甲醚 | 1984-58-3

• 物质功能分类: 化学试剂 - 有机试剂 - 醚类
• 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: 2,5-二氯苯甲醚
• 英文名称: 2,5-dichloroanisole
• 英文别名: 1,4-dichloro-2-methoxybenzene；2,5-Dichlor-anisol；2,5-dichlorophenol methyl ether
• CAS: 1984-58-3
• 化学式: C₇H₆Cl₂O
• mdl: MFCD00061123
• 分子量: 177.03
• InChiKey: QKMNFFSBZRGHDJ-UHFFFAOYSA-N

物化性质

• 熔点：
  24°C
• 沸点：
  128-132°C 3,5mm
• 密度：
  1.33
• 闪点：
  21°C
• 物理描述：
  Liquid
• 保留指数：
  1244;1254;1260;1256;1264;1273;1239;1241;1250.9
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，没有已知的危险反应，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn,Xi
• 安全说明：
  S23,S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2909309090
• 危险品运输编号：
  UN 1993
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封，在2°C至-8°C下保存

SDS

Name:	2 5-Dichloroanisole 99% Material Safety Data Sheet
Synonym:	1,4-Dichloro-2-Methoxybenzene
CAS:	1984-58-3

Section 1 - Chemical Product MSDS Name:2 5-Dichloroanisole 99% Material Safety Data Sheet
Synonym:1,4-Dichloro-2-Methoxybenzene

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1984-58-3	2,5-Dichloroanisole	99	217-852-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
Never give anything by mouth to an unconscious person. 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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. 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# 1984-58-3: 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: Liquid
Color: clear very slight yellow
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 available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3330g/cm3
Molecular Formula: C7H6Cl2O
Molecular Weight: 177.03

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1984-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dichloroanisole - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 1984-58-3: No information available.
Canada
CAS# 1984-58-3 is listed on Canada's NDSL List.
CAS# 1984-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1984-58-3 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：

  2,5-二氯苯甲醚 在 sodium methylate 、 sodium 作用下， 以 六甲基磷酰三胺 为溶剂， 生成 3-甲氧基苯酚
  参考文献：
  名称：

  HMPA中未活化的芳基卤化物与甲醇钠的反应：酚，茴香醚和甲氧基酚的合成

  摘要：

  由于S N Ar过程，甲醇钠与HMPA中的二氯苯反应生成氯茴香醚。然后过量的MeONa通过S N 2反应使醚脱甲基，得到氯酚。用三氯苯和四氯苯可以将最初形成的氯茴香醚脱烷基化为氯酚，或者可以进一步取代生成氯二甲氧基苯；它们与过量的MeONa反应，得到氯甲氧基苯酚。在取代基的电子效应的基础上，介绍并讨论了用二，三和四氯苯的各种异构体获得的结果。

  DOI：

  10.1016/s0040-4020(01)97647-1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 copper chloride 作用下， 生成 2,5-二氯苯甲醚
  参考文献：
  名称：

  Reverdin; Eckhard, Chemische Berichte, 1899, vol. 32, p. 2623

  摘要：

  DOI：

文献信息

• Active Molybdenum-Based Anode for Dehydrogenative Coupling Reactions
  作者：Sebastian B. Beil、Timo Müller、Sydney B. Sillart、Peter Franzmann、Alexander Bomm、Michael Holtkamp、Uwe Karst、Wolfgang Schade、Siegfried R. Waldvogel

  DOI：10.1002/anie.201712718

  日期：2018.2.23

  and powerful active anode system that can be operated in 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) has been discovered. In HFIP the molybdenum anode forms a compact, conductive, and electroactive layer of higher‐valent molybdenum species. This system can replace powerful but stoichiometrically required MoV reagents for the dehydrogenative coupling of aryls. This electrolytic reaction is more sustainable

  发现了一种可以在1,1,1,3,3,3-六氟-2-丙醇（HFIP）中运行的功能强大的新型阳极活性系统。在HFIP中，钼阳极形成一个高价钼物种的致密，导电和电活性层。该系统可替代功能强大但化学计量上要求的Mo V试剂，用于芳基的脱氢偶联。这种电解反应是更可持续的，并允许转化广泛范围的活化芳烃。
• Sulfonation of chloro- and dichloroanisoles with concentrated aqueous sulfuric acid and sulfur trioxide. Demethylation of chloroanisolesulfonic acids in sulfuric acid systems
  作者：Peter de Wit、Hans Cerfontain

  DOI：10.1002/recl.19881070605

  日期：——

  The nine chloro- and dichloroanisoles have been sulfonated with sulfuric acid. The observed sulfonic acid isomer distributions are determined mainly by the ortho- and para- directing effect of the methoxy substituent. In the reaction with sulfuric acid, the initially formed chloro- and dichloroanisolesulfonic acids are demethylated to give the corresponding phenolsulfonic acids. Demethylation occurs

  九种氯苯甲醚和二氯苯甲醚已用硫酸磺化。观察到的磺酸异构体分布主要取决于甲氧基取代基的邻位和对位作用。在与硫酸的反应中，将最初形成的氯代和二氯茴香醚磺酸脱甲基，得到相应的苯酚磺酸。脱甲基化仅在甲氧基取代基在空间上受邻氯和/或邻位阻碍的情况下发生-磺基取代基。2，3-和3，5-二氯茴香醚与发烟硫酸的反应最初分别产生4，6-和2，4-二磺酸。通过直接的磺基甲基化或通过原脱甲基化，随后进行硫酸化，将二磺酸转化为相应的硫酸氢盐。2,3-二氯-4,6-二磺基苯基硫酸氢环化成1,3,2,4-苯并二恶二硫辛2,2,4,4-四氧化物4。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• [EN] 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS<br/>[FR] DERIVES DE LA 2-ARYLOXYETHYL GLYCINE ET LEUR UTILISATION COMME INHIBITEURS DU TRANSPORT DE LA GLYCINE
  申请人：LILLY CO ELI

  公开号：WO2005100301A1

  公开（公告）日：2005-10-27

  The present invention relates to certain 2-aryloxyethyl glycine derivatives that exhibit activity as inhibitors of the glycine type-1 transporter, to pharmaceutical compositions containing them and to their use in the treatment of neurological and neuropsychiatric disorder.

  本发明涉及某些2-芳氧基乙基甘氨酸衍生物，它们作为甘氨酸类型-1转运体的抑制剂具有活性，涉及含有它们的药物组合物，以及它们在治疗神经学和神经精神障碍中的用途。
• NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS
  申请人：Van Brandt Sven Franciscus Anna

  公开号：US20120295891A1

  公开（公告）日：2012-11-22

  The present invention is concerned with novel substituted triazole derivatives of Formula (I) wherein Het 1 , R 1 , R 2 , A 1 , A 2 , A 3 , A 4 , L 1 , and L 2 have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及具有以下式（I）的新型取代三唑衍生物，其中Het1，R1，R2，A1，A2，A3，A4，L1和L2的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包括将所述化合物作为活性成分的药物组合物以及将所述化合物用作药物的用途。

表征谱图