4-氯苯甲醚 | 623-12-1

• 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 - 苯酚醚
• 中文名称: 4-氯苯甲醚
• 中文别名: 对氯茴香醚；对氯苯甲醚；1-氯-4-甲氧基苯；Para Chloro茴香油
• 英文名称: 4-chloromethoxybenzene
• 英文别名: 4-Chloroanisole；1-chloro-4-methoxybenzene；p-chloroanisole；4-methoxychlorobenzene；4-chloranisol
• CAS: 623-12-1
• 化学式: C₇H₇ClO
• mdl: MFCD00000616
• 分子量: 142.585
• InChiKey: YRGAYAGBVIXNAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  -18 °C (lit.)
• 沸点：
  198-202 °C (lit.)
• 密度：
  1.164 g/mL at 25 °C (lit.)
• 闪点：
  173 °F
• LogP：
  2.78 at 25℃
• 溶解度：
  0.00 M
• 保留指数：
  1079.5;1082;1090;1093;1090;1094;1108;1077
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 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
• 安全说明：
  S23,S24/25
• WGK Germany：
  3
• 海关编码：
  29093090
• 危险品运输编号：
  UN 2810
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥处。请确保存储地点远离氧化剂。

SDS

Name:	4-Chloroanisole 99% Material Safety Data Sheet
Synonym:	1-Chloro-4-Methoxybenzene
CAS:	623-12-1

Section 1 - Chemical Product MSDS Name:4-Chloroanisole 99% Material Safety Data Sheet
Synonym:1-Chloro-4-Methoxybenzene

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
623-12-1	4-Chloroanisole	99%	210-772-2

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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 breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Combustible liquid.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. 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:
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. Remove all sources of ignition. Use a spark-proof tool. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. 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# 623-12-1: 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:
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: Liquid
Color: light yellow or yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 198 - 202 deg C @ 760.00mmHg
Freezing/Melting Point: 18 deg C
Autoignition Temperature: Not applicable.
Flash Point: 78 deg C ( 172.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: immiscible
Specific Gravity/Density: 1.1640g/cm3
Molecular Formula: C7H7ClO
Molecular Weight: 142.58

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, 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# 623-12-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloroanisole - 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# 623-12-1: No information available.
Canada
CAS# 623-12-1 is listed on Canada's NDSL List.
CAS# 623-12-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 623-12-1 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质
本品是一种无色液体，熔点为−18℃，沸点在198～202℃之间。其折射率为20D下1.5350，相对密度为1.164，不溶于水，但能溶于乙醇和醚。

用途
2-甲基-4-氯苯酚是植物生长调节剂调果酸的中间体。

生产方法
该产品的制备方法是以2-甲基苯酚为原料，在25～30℃条件下与氯化硫进行氯化反应，从而得到产品。

反应信息

• 作为反应物：
  描述：

  4-氯苯甲醚 在 aluminum tri-bromide 、 硝酸 、 magnesium 、 zinc(II) chloride 、 苯 作用下， 生成 5,5'-dichloro-3,3'-dinitro-bibenzyl-2,2'-diol
  参考文献：
  名称：

  Pfleger; Waldmann, Chemische Berichte, 1957, vol. 90, p. 2395,2399

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-Dimethoxydiphenyliodonium chloride 以 氘代苯 为溶剂， 反应 120.0h， 以100%的产率得到4-氯苯甲醚
  参考文献：
  名称：

  [EN] RADIOIODINATED COMPOUNDS
  [FR] COMPOSÉS RADIOIODÉS

  摘要：

  公开号：

  WO2015147950A3
• 作为试剂：
  描述：

  4-乙酰基苯甲酸甲酯 在 potassium fluoride 、 4-氯苯甲醚 、 palladium diacetate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以52%的产率得到4-乙基苯甲酸甲酯
  参考文献：
  名称：

  氯芳烃公司Pd-PMHS纳米颗粒催化CO氢解

  摘要：

  催化 Pd(OAc) 2和聚甲基氢硅氧烷 (PMHS) 与水性 KF 和催化量的芳族氯化物结合，在室温下在 THF 中影响苄基氧化底物的化学、区域和立体选择性脱氧。初步的机械实验表明该过程涉及钯-纳米颗粒催化的氢化硅烷化，然后是 CO 还原。氯芳烃添加剂似乎通过 HCl 的缓慢受控释放促进氢解过程。

  DOI：

  10.1021/ol102757v

文献信息

• Nickel(II) N‐Heterocyclic Carbene Complexes: Versatile Catalysts for C–C, C–S and C–N Coupling Reactions
  作者：Lourdes Benítez Junquera、Francys E. Fernández、M. Carmen Puerta、Pedro Valerga

  DOI：10.1002/ejic.201700057

  日期：2017.5.18

  A variety of Ni(II) complexes with a wide range of electronic and steric properties, bearing picolyl-imidazolidene ligands (a-g) and Cp (2a-f) or Cp* (3a,c,g) groups, have been synthesised and characterised using NMR and single crystal X-ray crystallography. The complexes have been used as precatalysts for a wide range of catalytic transformations most likely involving a Ni0/NiII catalytic cycle. In

  合成并表征了具有各种电子和位阻性质的各种Ni（II）配合物，它们带有吡啶甲基-咪唑啉配体（ag）和Cp（2a-f）或Cp *（3a，c，g）基团使用NMR和单晶X射线晶体学。该络合物已被用作各种催化转化的预催化剂，最有可能涉及Ni0 / NiII催化循环。特别是，新的定义明确的2a，2c，3a和3c在温和条件下对Suzuki-Miyaura偶联反应，活性烯烃的加氢胺化以及芳基卤化物和硫醇的CS交叉偶联反应表现出了极大的效率和多功能性。
• [EN] SUBSTITUTED QUINAZOLINES AS FUNGICIDES<br/>[FR] QUINAZOLINES SUBSTITUÉES, UTILISÉES EN TANT QUE FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2010136475A1

  公开（公告）日：2010-12-02

  The present invention relates to a compound of formula (I) wherein wherein the substituents have the definitions as defined in claim 1or a salt or a N-oxide thereof, their use and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  本发明涉及一种具有如下式（I）的化合物，其中取代基具有权利要求1中定义的定义，或其盐或N-氧化物，它们的用途以及用于控制和/或预防植物中微生物感染，特别是真菌感染的方法，以及制备这些化合物的方法。
• [EN] ROR-GAMMA INHIBITORS<br/>[FR] INHIBITEURS DE ROR-GAMMA
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019063748A1

  公开（公告）日：2019-04-04

  The present invention relates to compounds of formula I and pharmaceutical compositions comprising compounds of formula I. Compounds of Formula I are useful in treatment of inflammatory, metabolic or autoimmune diseases which are mediated by RORy.

  本发明涉及公式I的化合物和包含公式I化合物的药物组合物。公式I的化合物在治疗由RORγ介导的炎症性、代谢性或自身免疫性疾病方面是有用的。
• Selective Dehydrocoupling of Phosphines by Lithium Chloride Carbenoids
  作者：Sebastian Molitor、Julia Becker、Viktoria H. Gessner

  DOI：10.1021/ja509381w

  日期：2014.11.5

  for the formation of phosphorus-phosphorus bonds through dehydrocoupling of phosphines is presented. The reaction is mediated by electronically stabilized lithium chloride carbenoids and affords a variety of different diphosphines under mild reaction conditions. The developed protocol is simple and highly efficient and allows the isolation of novel functionalized diphosphines in high yields.

  介绍了一种通过膦脱氢偶联形成磷-磷键的简单、无过渡金属的方法的发展。该反应由电子稳定的氯化锂卡宾介导，并在温和的反应条件下提供各种不同的二膦。开发的协议简单高效，可以高产率地分离新型功能化二膦。
• A European Perspective on Depression in the Community: The DEPRES Study
  作者：Saena Arbabzadeh-Bouchez、Andre Tylee、Jean-Pierre Lépine

  DOI：10.1017/s1092852900017430

  日期：2002.2

  Depression is one of the most prevalent disorders in the general population, causing personal and social disability and impairment. Major studies assessing the diagnosis and management of depression have shown that it is often underdiagnosed and undertreated. A pan-European study aimed at assessing the extent and consequences of depression in six different countries is reported in this article. Different types of depressive profiles are analyzed and their respective management has been compared. The importance of improving diagnosis and treatment of depression is underlined. Appropriate management of depression depends on the recognition of depressive symptoms by patients, their possibility of seeking care, and the ability of the primary care physician to recognize the disorder and prescribe the appropriate medicines. Improvement in all of these fields is necessary.

  摘要抑郁症是普通人群中最常见的疾病之一，会造成个人和社会的残疾和损伤。对抑郁症的诊断和管理进行评估的主要研究表明，抑郁症往往诊断不足、治疗不力。本文报告了一项泛欧研究，旨在评估六个不同国家抑郁症的程度和后果。研究分析了不同类型的抑郁症，并对其各自的治疗方法进行了比较。文章强调了改进抑郁症诊断和治疗的重要性。抑郁症的适当治疗取决于患者对抑郁症状的认识、他们寻求治疗的可能性以及初级保健医生识别疾病和开具适当药物的能力。所有这些领域都需要改进。

表征谱图