2,3,4,5,6-五氟苯氧基乙酰基氯 | 55502-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,3,4,5,6-五氟苯氧基乙酰基氯
• 中文别名: 2,3,4,5,6-五氟苯氧基乙酰氯
• 英文名称: hexafluorophenoxyethanoyl chloride
• 英文别名: pentafluorophenoxyacetyl chloride；(Pentafluorophenoxy)acetyl chloride；2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
• CAS: 55502-53-9
• 化学式: C₈H₂ClF₅O₂
• mdl: MFCD01320685
• 分子量: 260.548
• InChiKey: WQLJMPAQIWVNGS-UHFFFAOYSA-N

物化性质

• 沸点：
  116-117°C 20mm
• 密度：
  1.6038 (estimate)
• 闪点：
  116-117°C/20mm
• 稳定性/保质期：

  如果按照规定使用和储存，则不会发生分解，也不存在已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S27,S3/7,S36/37/39
• 危险类别码：
  R14,R34
• 海关编码：
  2918990090
• 包装等级：
  III
• 危险类别：
  8
• WGK Germany：
  3
• 危险品运输编号：
  3265
• 储存条件：
  请将贮藏器密封保存，并存放在阴凉干燥处。同时，确保工作环境具有良好的通风或排气设施。

SDS

Name:	Pentafluorophenoxyacetyl Chloride 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	55502-53-9

Section 1 - Chemical Product MSDS Name:Pentafluorophenoxyacetyl Chloride 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
55502-53-9	Pentafluorophenoxyacetyl Chloride	97	259-676-2

Hazard Symbols: C
Risk Phrases: 14 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Causes burns.Moisture sensitive.Corrosive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye burns. Produces irritation, characterized by a burning sensation, redness, tearing, inflammation, and possible corneal injury. Lachrymator (substance which increases the flow of tears).
May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system effects. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. May cause systemic effects. May cause Central Nervous System Effects characterized by apathy, mental confusion, blurred vision, and tremors.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. 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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Containers may explode in the heat of a fire.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Contact with metals may evolve flammable hydrogen gas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.
Cool containers with flooding quantities of water until well after fire is out.

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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. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Store in a tightly closed container. Corrosives area. Store protected from moisture.

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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# 55502-53-9: 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: Clear liquid
Color: light yellow
Odor: Not available.
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 available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H2ClF5O2
Molecular Weight: 260.4578

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, moisture, excess heat.
Incompatibilities with Other Materials:
Moisture, oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 55502-53-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pentafluorophenoxyacetyl Chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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: II
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 34 Causes burns.
Safety Phrases:
S 3/7 Keep container tightly closed in a cool,
well-ventilated place.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 27 Take off immediately all contaminated clothing.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 55502-53-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55502-53-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55502-53-9 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：

  2,3,4,5,6-五氟苯氧基乙酰基氯 、 7-氨基-3-氯-3-头孢环-4-羧酸 以 水 为溶剂， 反应 0.5h， 以4.66 g的产率得到(6R,7R)-3-chloro-8-oxo-7-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Treatment of mastitis

  摘要：

  该发明提供了一种新的氟化头孢菌素抗生素，其化学式为I，其中Ra、Rb、Rc、Rd和Re独立地为H、F或具有至少一个氟取代基的C1-C6烷基-(Z)n—基团；X为O或S；Y为S、O或—CH2—；Z为O、S、—SO—或—SO2—；m和n独立地为0或1；R1为H、C1-C6烷基、苯基或苄基，每种基团可选择性地具有最多三个取代基，所述取代基选自卤素、C1-C4烷氧基、苯基、NO2、C1-C6烷酰基、苯甲酰基或C1-C6烷酰氧基；或其生理上可接受的盐；以及使用这些抗生素预防、治疗或治疗感染，特别是在反刍动物中的乳腺炎的方法。

  公开号：

  US06369049B1
• 作为产物：
  描述：

  2,3,4,5,6-五氟苯氧基乙酸 在 氯化亚砜 作用下， 反应 1.0h， 以92%的产率得到2,3,4,5,6-五氟苯氧基乙酰基氯
  参考文献：
  名称：

  Treatment of mastitis

  摘要：

  该发明提供了一种新的氟化头孢菌素抗生素，其化学式为I，其中Ra、Rb、Rc、Rd和Re独立地为H、F或具有至少一个氟取代基的C1-C6烷基-(Z)n—基团；X为O或S；Y为S、O或—CH2—；Z为O、S、—SO—或—SO2—；m和n独立地为0或1；R1为H、C1-C6烷基、苯基或苄基，每种基团可选择性地具有最多三个取代基，所述取代基选自卤素、C1-C4烷氧基、苯基、NO2、C1-C6烷酰基、苯甲酰基或C1-C6烷酰氧基；或其生理上可接受的盐；以及使用这些抗生素预防、治疗或治疗感染，特别是在反刍动物中的乳腺炎的方法。

  公开号：

  US06369049B1

文献信息

• Water-soluble derivatives of epipodophyllotoxin, process for their
  申请人：Pierre Fabre Medicament

  公开号：US06107284A1

  公开（公告）日：2000-08-22

  Water-soluble derivatives of epipodophyllotoxin, process for their preparation and their use for the treatment of rheumatoid arthritis, complaints caused by human papilloma virus and cancer.

  表现为水溶性的依托泊松毒素衍生物，其制备方法及其用于治疗类风湿性关节炎、人乳头瘤病毒引起的疾病和癌症。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.SVol.3, 6.2.3.3, page 137 - 151
  作者：

  DOI：——

  日期：——
• US3622626
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel Irreversible Epidermal Growth Factor Receptor Inhibitors by Chemical Modulation of the Cysteine-Trap Portion
  作者：Caterina Carmi、Andrea Cavazzoni、Stefano Vezzosi、Fabrizio Bordi、Federica Vacondio、Claudia Silva、Silvia Rivara、Alessio Lodola、Roberta R. Alfieri、Silvia La Monica、Maricla Galetti、Andrea Ardizzoni、Pier Giorgio Petronini、Marco Mor

  DOI：10.1021/jm901558p

  日期：2010.3.11

  Irreversible EGFR inhibitors can circumvent acquired resistance to first-generation reversible, ATP-competitive inhibitors in the treatment of non-small-cell lung cancer. They contain both a driver group, which assures target recognition, and it warhead, generally an acrylamide or propargylamide fragment that binds covalently to Cys797 within the kinase domain of EGFR. We performed it systematic exploration of the role for the warhead group, introducing different cysteine-trapping fragments at position 6 of a traditional 4-anilinoquinazoline scaffold. We found that different reactive groups, including epoxyamides (compounds 3-6) and phenoxyacetamides (compounds 7-9), were able to irreversibly inhibit EGFR. In particular, at significant lower concentrations than gefitinib (1), (2R,3R)-N-(4-(3-bromoanilino)quinazolin-6-yl)-3-(piperidin-1-ylmethyl)oxirane-2-carboxamide (6) inhibited EGFR autophosphorylation and downstream Signaling pathways, Suppressed proliferation, and induced apoptosis in gefitinib-resistant NSCLC H 1975 cells, harboring the T790M mutation in EGFR.
• Weston, William S.; Cole-Hamilton, David J., Inorganica Chimica Acta, 1998, vol. 280, # 1-2, p. 99 - 117
  作者：Weston, William S.、Cole-Hamilton, David J.

  DOI：——

  日期：——