1-氯-2,3,3-三氟环丁烯 | 694-62-2

• 物质功能分类: 化学试剂 - 有机试剂 - 卤代脂肪烃
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1-氯-2,3,3-三氟环丁烯
• 英文名称: 1-Chlor-2,3,3-trifluor-cyclobuten
• 英文别名: 1-chloro-2,3,3,-trifluorocyclobutene；1-Chloro-2,3,3-trifluorocyclobutene
• CAS: 694-62-2
• 化学式: C₄H₂ClF₃
• mdl: MFCD00041524
• 分子量: 142.508
• InChiKey: NTBUBNMKBVNZBB-UHFFFAOYSA-N

物化性质

• 沸点：
  51-52 °C(lit.)
• 密度：
  1.355 g/mL at 25 °C(lit.)
• 闪点：
  5 °F
• 稳定性/保质期：
  远离氧化物和火源。

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  3
• 危险品标志：
  Xn,F,Xi
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R20/21/22,R36/37,R11
• WGK Germany：
  3
• 危险品运输编号：
  UN 1993 3/PG 2
• 包装等级：
  II
• 危险类别：
  3
• 储存条件：
  存放在密封容器内，并置于阴凉、干燥处。请确保存储地点远离氧化剂。

SDS

Name:	1-Chloro-2 3 3-Trifluorocyclobutene 97% Material Safety Data Sheet
Synonym:	None
CAS:	694-62-2

Section 1 - Chemical Product MSDS Name:1-Chloro-2 3 3-Trifluorocyclobutene 97% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
694-62-2	1-Chloro-2,3,3-Trifluorocyclobutene	97%	unlisted

Hazard Symbols: XN F
Risk Phrases: 11 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed.Air sensitive.Highly flammable.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. Vapors may cause dizziness or suffocation.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. 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. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Will be easily ignited by heat, sparks or flame. Containers may explode if exposed to fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Water may be ineffective. Water may spread fire. If water is the only media available, use in flooding amounts.
For large fires, use water spray, fog or alcohol-resistant foam. Do NOT use straight streams of water. 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:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition.
Provide ventilation. Place under an inert atmosphere.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. 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. Handle under an inert atmosphere. Store protected from air. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat and flame. Store in a tightly closed container.
Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep refrigerated. (Store below 4C/39F.) Do not expose to air. Store under an inert atmosphere.

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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# 694-62-2: 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 51 - 52 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: -14 deg C ( 6.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3550g/cm3
Molecular Formula: C4H2ClF3
Molecular Weight: 142.51

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at normal temperatures in tightly closed containers under an inert atmosphere.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, excess heat.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing 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# 694-62-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Chloro-2,3,3-Trifluorocyclobutene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.2
UN Number: 1993
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN F
Risk Phrases:
R 11 Highly flammable.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
S 37/39 Wear suitable 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# 694-62-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 694-62-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 694-62-2 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：

  1-氯-2,3,3-三氟环丁烯 在 一氯化碘 作用下， 生成 三氯-三氯环丁烷
  参考文献：
  名称：

  Unidirectional cis addition of iodine chloride to 2,3,2-trifluorocyclobutenes. Nuclear magnetic resonance spectra of 2-iodo-1,1,2-trifluorocyclobutanes

  摘要：

  DOI：

  10.1021/ja01050a001
• 作为产物：
  描述：

  三氯-三氯环丁烷 在 锌 作用下， 以 乙醇 为溶剂， 反应 4.5h， 以68.3%的产率得到1-氯-2,3,3-三氟环丁烯
  参考文献：
  名称：

  对映体合成3取代的天冬氨酸取代的富马酸的酶促胺化反应

  摘要：

  描述了3-甲基天冬氨酸酶在合成具有（S）构型的3-卤代-或3-烷基-取代基的L-天冬氨酸以及一些相应的C-3氘代异位异构体中的用途。

  DOI：

  10.1016/s0040-4020(01)87795-4

文献信息

• 一种含氟二元羧酸的制备方法
  申请人：中蓝晨光化工研究设计院有限公司

  公开号：CN111333497B

  公开（公告）日：2022-12-09

  本发明公开了一种含氟二元羧酸的制备方法，以含氟环烯烃为原料，在溶剂和催化剂的作用下，经氧化剂氧化生成对应的含氟二元羧酸。本发明方法以有机溶剂和水组成的混合溶剂作为氧化反应的溶剂体系，在催化剂的作用下，将含氟环烯烃用氧化剂氧化成对应的含氟二元羧酸，具有操作简单，工艺稳定、安全，反应时间短，收率和产品质量高的特点，适宜于大规模生产。
• Synthesis of hydrohalocyclobutenes through dechlorination of hydrohalocyclobutanes in amide solvents
  作者：Wenni Zhang、Fengniu Lu、Chengping Zhang、Qin Guo、Hengdao Quan

  DOI：10.1016/j.jfluchem.2020.109506

  日期：2020.5

  In this study, we synthesized hydrohalocyclobutenes through the dechlorination of hydrohalocyclobutanes in N,N-dimethylformamide and N,N-dimethylacetamide. The structure of the reaction site –CClR1–CClR2– (R1 = H, F; R2 = H, F, Cl) of the reactants was critical for the efficient reductive dechlorination from the 1- and 2- positions. The reaction proceeded efficiently at the –CFCl–CFCl–, –CFCl–CCl2–

  在这项研究中，我们通过在N，N-二甲基甲酰胺和N，N-二甲基乙酰胺中对氢卤代环丁烷进行脱氯合成了氢卤代环丁烯。反应物的反应位点-CClR 1 -CClR 2-（R 1 = H，F; R 2 = H，F，Cl）的结构对于从1-和2-位有效还原脱氯至关重要。反应在–CFCl–CFCl –，– CFCl–CCl 2 –和–CHCl–CHCl–基团下有效进行。相反，–CFCl–CHCl–基团几乎无法提供脱氯产物。基于这些结果，我们提出了一种合理的反应机理。
• 卤代环烯烃的制备方法
  申请人：泉州宇极新材料科技有限公司

  公开号：CN110002948B

  公开（公告）日：2022-03-01

  本发明涉及“卤代环烯烃的制备方法”，属于化学合成领域。本发明的制备方法为在酰胺或烷基胺溶剂中，以卤代环烷烃为原料，发生脱卤反应，得到目标产物卤代环烯烃。本发明方法不仅反应条件温和、卤代环烯烃收率高，不需要使用金属或氢气等危险的还原剂，工艺安全可靠，不产生金属卤化物等废固，在工业上可通过普通的蒸馏手段进行有效分离。
• Mono- and Difluorobutenedioic Acids
  作者：Maynard S. Raasch、Ralph E. Miegel、John E. Castle

  DOI：10.1021/ja01520a023

  日期：1959.6
• Fluoro olefins. VI. Ring size effects in cyclic fluoro olefins with alkoxide nucleophiles
  作者：C. A. Franz、Donald J. Burton

  DOI：10.1021/jo00907a019

  日期：1975.9

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