4-三氟甲氧基氯苄 | 65796-00-1

• 物质功能分类: 医药中间体
• 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: 4-三氟甲氧基氯苄
• 中文别名: 对三氟甲氧基氯苄；对三氟甲氧基苄基氯；1-(氯甲基)-4-(三氟甲氧基)苯；4-(三氟甲氧基)苄氯；4-(三氟甲氧基)氯苄
• 英文名称: 1-(chloromethyl)-4-(trifluoromethoxy)benzene
• 英文别名: 4-trifluoromethoxybenzyl chloride；4-(Trifluoromethoxy)benzyl Chloride
• CAS: 65796-00-1
• 化学式: C₈H₆ClF₃O
• mdl: MFCD00052326
• 分子量: 210.583
• InChiKey: LBMKFQMJURUPKC-UHFFFAOYSA-N

物化性质

• 沸点：
  72 °C
• 密度：
  1.34

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 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：
  4

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2909309090
• 危险品运输编号：
  1760
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P210,P234,P260,P264,P280,P301+P330+P331+P310,P303+P361+P353+P310+P363,P304+P340+P310,P305+P351+P338+P310,P390,P403+P235,P405,P406,P501
• 危险性描述：
  H227,H290,H314
• 储存条件：
  冷藏。

SDS

Name:	1-(Chloromethyl)-4-(trifluoromethoxy)benzene, 97% Material Safety Data Sheet
Synonym:	4-(Trifluoromethoxy)benzyl chloride
CAS:	65796-00-1

Section 1 - Chemical Product MSDS Name: 1-(Chloromethyl)-4-(trifluoromethoxy)benzene, 97% Material Safety Data Sheet
Synonym: 4-(Trifluoromethoxy)benzyl chloride

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
65796-00-1	1-(Chloromethyl)-4-(trifluoromethoxy)b	97%	unlisted

+++++
Hazard Symbols: C

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects
Eye:
Causes eye burns.
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:
Do not induce vomiting. Get medical aid immediately.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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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 cool, dry place. Store in a tightly closed container. Corrosives area.

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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# 65796-00-1: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 81 - 83 deg C @15mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6ClF3O
Molecular Weight: 211

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 65796-00-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(Chloromethyl)-4-(trifluoromethoxy)benzene - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
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# 65796-00-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 65796-00-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 65796-00-1 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

4-三氟甲氧基氯苄是一种烃类衍生物，常用于医药和化工合成中的中间体。

急救措施

若吸入4-三氟甲氧基氯苄，请立即将患者移至空气新鲜处。如皮肤接触，应立即脱去污染衣物，并用肥皂水及清水彻底清洗受污染部位；如有不适，请就医。若眼睛接触到该物质，请翻开眼睑，用流动清水或生理盐水冲洗，并尽快就医。如果误食，请立即漱口，切勿催吐，并及时就医。

反应信息

• 作为反应物：
  描述：

  4-三氟甲氧基氯苄 在 1,2-二溴乙烷 碘 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  [EN] METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES
  [FR] PROCÉDÉ DE PRÉPARATION DE PYRIMIDINES SUBSTITUÉES EN POSITION 5

  摘要：

  公开号：

  WO2012128965A3
• 作为产物：
  描述：

  三氟甲氧基苯 在 盐酸 、 碳酸氢钠 、 paraformaldehyde 作用下， 以 甲醇 、 甲基叔丁基醚 、 水 为溶剂， 以65%的产率得到4-三氟甲氧基氯苄
  参考文献：
  名称：

  PROCESS FOR PREPARING 2-(4-TRIFLUOROMETHOXYPHENYL)ETHYLAMINE AND 4-BROMOMETHYL-AND 4-CHLOROMETHYL-1-TRIFLUOROMETHOXYBENZENE

  摘要：

  该发明涉及一种制备2-(4-三氟甲氧基苯基)乙胺的方法，通过以下步骤实现：(a) 将三氟甲氧基苯转化为卤甲基化合物，得到卤代甲基-1-三氟甲氧基苯；(b) 将卤代甲基-1-三氟甲氧基苯通过卤-氰交换反应转化为4-(三氟甲氧基苯基)乙腈；(c) 在镍催化剂存在下，使用氢气还原4-(三氟甲氧基苯基)乙腈，得到2-(4-三氟甲氧基苯基)乙胺。该方法的第一步也是制备4-溴甲基和4-氯甲基-1-三氟甲氧基苯的优势方法。

  公开号：

  US20020082454A1

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• From Alkyl Halides to Ketones: Nickel‐Catalyzed Reductive Carbonylation Utilizing Ethyl Chloroformate as the Carbonyl Source
  作者：Renyi Shi、Xile Hu

  DOI：10.1002/anie.201903330

  日期：2019.5.27

  remains in high demand. Described here is a nickel‐catalyzed three‐component reductive carbonylation method for the synthesis of dialkyl ketones. A wide range of both symmetric and asymmetric dialkyl ketones can be accessed from alkyl halides and a safe CO source, ethyl chloroformate. The approach offers complementary substrate scope to existing carbonylation methods while avoiding the use of either toxic

  酮在合成和药物化学中是一类重要的分子。仍然需要快速和模块化的酮合成。本文描述了一种镍催化的三组分还原羰基化方法，用于合成二烷基酮。可以从卤代烷和安全的一氧化碳源（氯甲酸乙酯）中获得各种对称和不对称的二烷基酮。该方法为现有的羰基化方法提供了互补的底物范围，同时避免了使用有毒的CO或羰基金属试剂。
• Substituted phenyl farnesyltransferase inhibitors
  申请人：——

  公开号：US20020019527A1

  公开（公告）日：2002-02-14

  Compounds of formula (I) 1 or pharmaceutically acceptable salts thereof, inhibit farnesyltransferase. Methods for making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

  式(I)的化合物或其药学上可接受的盐，抑制法尼基转移酶。公开了制备这些化合物的方法，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。
• [EN] PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS<br/>[FR] COMPOSÉS DE PYRAZOLE ET LEUR UTILISATION EN TANT QUE BLOQUEURS DES CANAUX CALCIQUES DE TYPE T
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015186056A1

  公开（公告）日：2015-12-10

  The invention relates to compounds of formula (I) Formula (I) wherein X, Y, R1, R2, (R4)n, and (R5)m are as defined in the description, and to pharmaceutically acceptable salts of such compounds. These compounds are useful as calcium T-channel blockers.

  这项发明涉及式(I)的化合物。式(I)中X、Y、R1、R2、(R4)n和(R5)m的定义如描述中所述，并且涉及这些化合物的药用盐。这些化合物可用作钙T通道阻滞剂。
• TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：ZHEJIANG HISUN PHARMACEUTICAL CO., LTD.

  公开号：US20210277021A1

  公开（公告）日：2021-09-09

  Provided are a tetrahydroisoquinoline derivative, a preparation method therefor and an application thereof in medicine. In particular, provided are a tetrahydroisoquinoline derivative represented by general formula (I), a preparation method therefor and a pharmaceutically acceptable salt thereof as well as use thereof as a therapeutic agent, in particular as an angiotensin II type 2 receptor (AT 2 R) antagonist, wherein definitions of substituent groups in the general formula (I) are the same as definitions in the description.

  提供了一种四氢异喹啉衍生物，其制备方法及在医学中的应用。具体而言，提供了一种由通式（I）表示的四氢异喹啉衍生物，其制备方法及其药用可接受盐，以及其作为治疗剂的用途，特别是作为一种血管紧张素II类型2受体（AT2R）拮抗剂，其中通式（I）中取代基团的定义与描述中的定义相同。