2-甲氧基氯化苄 | 7035-02-1

• 物质功能分类: 有机原料
• 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-甲氧基氯化苄
• 中文别名: 2-甲氧基苄基氯；2-甲氧基苄氯；2-甲氧基氯苄
• 英文名称: 2-Methoxybenzyl chloride
• 英文别名: o-Methoxybenzyl chloride；1-(chloromethyl)-2-methoxybenzene
• CAS: 7035-02-1
• 化学式: C₈H₉ClO
• mdl: MFCD00060276
• 分子量: 156.612
• InChiKey: UAWVMPOAIVZWFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  28.3-29.8 °C(lit.)
• 沸点：
  122-124 °C26 mm Hg(lit.)
• 密度：
  1.125 g/mL at 25 °C(lit.)
• 闪点：
  210 °F
• 稳定性/保质期：
  在常温常压下稳定，但需注意其对水的敏感性。应避免与不相容的材料、潮湿的空气和水分接触，并远离强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  CORROSIVE
• 安全说明：
  S26,S27,S36,S36/37/39,S45
• 危险品运输编号：
  UN 3261 8/PG 3
• WGK Germany：
  3
• 海关编码：
  2909309090
• 危险品标志：
  C
• 危险类别码：
  R34
• 储存条件：
  密封保存于阴凉干燥的库房中，冷藏温度保持在4°C，并常用氮气进行保护。

SDS

Name:	2-Methoxybenzyl chloride Material Safety Data Sheet
Synonym:	2-(Chloromethyl)anisol
CAS:	7035-02-1

Section 1 - Chemical Product MSDS Name:2-Methoxybenzyl chloride Material Safety Data Sheet
Synonym:2-(Chloromethyl)anisol

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7035-02-1	2-Methoxybenzyl chloride		230-312-4

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Will burn if involved in a fire.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER!

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store under nitrogen.

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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# 7035-02-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 122 - 124 deg C @26mmHg
Freezing/Melting Point: 28.3 - 29.8 deg C
Autoignition Temperature: Not available.
Flash Point: 98 deg C ( 208.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.125
Molecular Formula: C8H9ClO
Molecular Weight: 156.61

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7035-02-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methoxybenzyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 7035-02-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7035-02-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7035-02-1 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：

  2-甲氧基氯化苄 在 水 、 sodium hydroxide 作用下， 反应 0.05h， 以98%的产率得到邻甲氧基苯甲醛
  参考文献：
  名称：

  水性介质中4-羟基吡啶鎓硝酸盐的微波辅助将卤代甲烷氧化为醛和酮

  摘要：

  （2021年）。在水性介质中用4-羟基硝酸吡啶鎓功能化硅胶对卤代甲烷进行微波辅助氧化，将其氧化为醛和酮。国际有机制剂和程序：Vol。53，第2号，第176-183页。

  DOI：

  10.1080/00304948.2021.1880838
• 作为产物：
  描述：

  2,3-二甲氧基苄醇 生成 2-甲氧基氯化苄
  参考文献：
  名称：

  Amino substituted benzenepropanols

  摘要：

  具有以下结构式的化合物表现出降压活性：##STR1##及其药学上可接受的盐，其中R.sub.1为氢或烷基；R.sub.2和R.sub.3各自独立为苯基、取代苯基、环烷基，或者R.sub.2为氢且R.sub.3为杂环芳基；R.sub.4和R.sub.5相同或不同，各自为氢、羟基、烷氧基、烷酰基或烷基；R.sub.6为氢或烷基；n为1、2、3或4；但如果R.sub.2和R.sub.3各自为苯基，则R.sub.1、R.sub.4、R.sub.5和R.sub.6中至少有一个不是氢。

  公开号：

  US04788010A1

文献信息

• [EN] PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLOTRIAZINONE EN TANT QU'INHIBITEURS DES PI3K
  申请人：ALMIRALL SA

  公开号：WO2014060432A1

  公开（公告）日：2014-04-24

  New pyrrolotriazinone derivatives having the chemical structure of formula (I), are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks)

  新的吡咯三唑酮衍生物具有化学结构式（I），公开；以及它们的制备方法，包括它们的药物组合物和它们作为磷脂酰肌醇3-激酶（PI3Ks）抑制剂在治疗中的应用。
• TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20180125821A1

  公开（公告）日：2018-05-10

  The present disclosure relates to bifunctional compounds, which find utility as modulators of tau protein. In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a VHL or cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds tau protein, such that tau protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of tau. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of tau protein. Diseases or disorders that result from aggregation or accumulation of tau protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。
• Compounds and methods
  申请人：Marino P. Joseph

  公开号：US20050222212A1

  公开（公告）日：2005-10-06

  Compounds of this invention are non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, useful in treating bacterial infections.

  该发明的化合物是非肽类、可逆的细菌蛋氨酸氨肽酶抑制剂，可用于治疗细菌感染。
• COMPOUNDS AND USES THEREOF
  申请人：Yumanity Therapeutics, Inc.

  公开号：US20190330198A1

  公开（公告）日：2019-10-31

  The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

  本发明涉及用于治疗神经系统疾病的化合物。本发明的化合物可以单独或与其他药用活性剂结合使用，用于治疗或预防神经系统疾病。
• PROTEIN KINASE INHIBITORS
  申请人：Sheppard S. George

  公开号：US20070203143A1

  公开（公告）日：2007-08-30

  Compounds that inhibit protein kinases, compositions containing the compounds and methods of treating diseases using the compounds are disclosed.

  抑制蛋白激酶的化合物、含有这些化合物的组合物以及利用这些化合物治疗疾病的方法被披露。

表征谱图