三氯-三氯环丁烷 - CAS号 697-17-6

物化性质

沸点：

120 °C(lit.)
密度：

1.594 g/mL at 25 °C(lit.)
闪点：

119-120°C
稳定性/保质期：

远离氧化物、火源、热源和明火。

计算性质

辛醇/水分配系数(LogP)：

3.1
重原子数：

10
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

0
氢给体数：

0
氢受体数：

3

安全信息

危险等级：

6.1
危险品标志：

Xn,Xi
安全说明：

S26,S36
危险类别码：

R20/21/22,R36/37
WGK Germany：

3
海关编码：

2903890090
包装等级：

III
危险类别：

6.1
危险品运输编号：

2810
储存条件：

存放在密封容器内，并置于阴凉、干燥处。请确保储存地点远离氧化剂。

SDS

SDS：50f77948f38f5fc6aca26a553f58817e

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Name:	1 1 2-Trichloro-2 3 3-Trifluorocyclobutane 97% Material Safety Data Sheet
Synonym:	None
CAS:	697-17-6

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

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
697-17-6	1,1,2-Trichloro-2,3,3-Trifluorocyclobu	97%	211-804-8

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

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.Air sensitive.
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.
Chronic:
No information found.

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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Handle under an inert atmosphere.
Store protected from air.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.

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# 697-17-6: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: almost colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120 deg C
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: 1.5940g/cm3
Molecular Formula: C4H2Cl3F3
Molecular Weight: 213.42

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 697-17-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,1,2-Trichloro-2,3,3-Trifluorocyclobutane - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
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# 697-17-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 697-17-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 697-17-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

三氯-三氯环丁烷在三乙胺作用下，以85%的产率得到1,4-dichloro-3,3,4-trifluoroyclobutene

参考文献：

名称：

Molecular Structure of 3,4-Difluorofuran-2,5-dione (Difluoromaleic Anhydride) As Determined by Electron Diffraction and Microwave Spectroscopy in the Gas Phase and by Theoretical Computations

摘要：

The structure of 3,4-difluorofuran-2,5-dione has been determined experimentally in the gas phase by microwave spectroscopy using rotation constants derived from five isotopomers and by a combined analysis of electron-diffraction and microwave data. The geometry is planar with C-2v symmetry. Structural parameters [distances (r(alpha)degrees)/pm, angles angle(alpha)/deg, (1 sigma errors)] for the combined analysis are: r(C=O) = 119.0(1); r(C-F) = 130.9(2); r-(C=C) = 133.2(3), r(O-C) = 139.3(1); r(C-C) = 148.5(2); angle C-C=C = 108.3(1); angle C=C-F = 129.9(1); angle C-C=O = 129.3(1); angle C-O-C = 108.9(1); angle O-C-C = 107.2(1). These values are in excellent agreement with those obtained in an ab initio study of the molecular geometry at the MP2/6-311+G*(2df) level of theory. The dipole moment of difluoromaleic anhydride has been determined experimentally by Stark-effect measurements to be 1.867(3) D.

DOI：

10.1021/jp984554o
作为产物：

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

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文献信息

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。
Enantiospecific synthesis of 3-substituted aspartic acids via enzymic amination of substituted fumaric acids

作者：Mahmoud Akhtar、Botting Nigel P.、Cohen Mark A.、David Gani

DOI：10.1016/s0040-4020(01)87795-4

日期：——

The use of the enzyme 3-methylaspartase in the synthesis of L-aspartic acids containing 3-halogeno- or 3-alkyl- substituents, in the (S)-configuration, and also some of the corresponding C-3 deuteriated isotopomers is described.

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。
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。
Hydrogen bonds in fluorosubstituted dicarboxylic acids: vibrational spectra and crystal structure of potassium hydrogen difluorofumarate and potassium hydrogen difluoromaleate

作者：Rainer Mattes、Dieter Göhler

DOI：10.1016/0022-2860(80)80257-2

日期：1980.11

The crystal structures of potassium hydrogen difluoromaleate (KHDFM) and potassium hydrogen difluorofumarate (KHDFF) have been determined by single crystal X-ray methods. The hydrogen difluoromaleate ion has a closed ring structure with a short intramolecular hydrogen bond. The O· O distance is 2.415(1) A The hydrogen difluorofumarate ions form infinite chains via short intermolecular hydrogen bonds

摘要利用单晶X射线法测定了二氟马来酸氢钾(KHDFM)和二氟富马酸氢钾(KHDFF)的晶体结构。二氟马来酸氢离子具有闭环结构和短分子内氢键。O·O 距离为 2.415(1) A。二氟富马酸氢离子通过短分子间氢键形成无限链。O· ;O 距离为 2.450(5) A。在这两种化合物中，氢键跨越晶体对称元素。两种化合物及其氘代衍生物的振动光谱已被记录和分配。KHDFF 的红外光谱为 Speakman's A 2 型。KHDFM 和马来酸氢钾的光谱非常相似。
Dihydropyridazinones, pyridazinones and related compounds as fungicides

申请人：Rohm and Haas Company

公开号：US05631254A1

公开（公告）日：1997-05-20

This invention relates to substituted dihydropyridazinones, pyridazinones and related compounds, of the formula ##STR1## wherein A, Q, D and R1 are as defined within, compositions containing these compounds and methods of controlling agricultural and mammalian fungal diseases.

本发明涉及代替二氢吡啶嗪酮，吡啶嗪酮和相关化合物，其化学式为##STR1## 其中A、Q、D和R1的定义如上所述，以及含有这些化合物的组合物和控制农业和哺乳动物真菌病的方法。

三氯-三氯环丁烷 | 697-17-6

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

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