1-氯-3,3,4,4,5,5-甲氧基环戊烯 | 336-34-5

• 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-3,3,4,4,5,5-甲氧基环戊烯
• 中文别名: 1-氯-3,3,4,4,5,5-六氟-2-甲氧基环戊烯
• 英文名称: 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxy-cyclopentene
• 英文别名: (2-chloro-3,3,4,4,5,5-hexafluoro-cyclopent-1-enyl)-methyl ether；(2-Chlor-3,3,4,4,5,5-hexafluor-cyclopent-1-enyl)-methyl-aether；1-chloro-2-methoxyhexafluorocyclopentene；3.3.4.4.5.5-Hexafluor-2-chlor-1-methoxy-cyclopenten-(1)；1-Chlor-3.3.4.4.5.5-hexafluor-2-methoxy-cyclopenten；1-Chlor-2-methoxy-hexafluor-cyclopent-1-en；1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene
• CAS: 336-34-5
• 化学式: C₆H₃ClF₆O
• mdl: MFCD00674036
• 分子量: 240.533
• InChiKey: QLPINEFCFXPUSF-UHFFFAOYSA-N

物化性质

• 沸点：
  84 °C(lit.)
• 密度：
  1.56 g/mL at 25 °C(lit.)
• 闪点：
  49 °C
• 稳定性/保质期：
  如果按照规定使用和储存，则不会发生分解，没有已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R10,R36/37/38
• 海关编码：
  2909209000
• 危险品运输编号：
  UN 1993 3/PG 3

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Chloro-3,3,4,4,5,5-hexafluoro-2-
methoxycyclopentene
CAS-No. : 336-34-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H226 Flammable liquid and vapour.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10 Flammable.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S16 Keep away from sources of ignition - No smoking.
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C6H3ClF6O
Molecular Weight : 240,53 g/mol
Component Concentration
1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene
CAS-No. 336-34-5 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas, Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Impervious clothing., Flame retardant antistatic protective clothing, The type of protective
equipment must be selected according to the concentration and amount of the dangerous
substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 84 °C - lit.
boiling range
g) Flash point 49 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,56 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1993 IMDG: 1993 IATA: 1993
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, N.O.S. (1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene)
IMDG: FLAMMABLE LIQUID, N.O.S. (1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene)
IATA: Flammable liquid, n.o.s. (1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene)
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-氯-3,3,4,4,5,5-甲氧基环戊烯 在 氯 作用下， 生成 1,1,2-三氯-2-甲氧基-全氟环戊烷
  参考文献：
  名称：

  Perhaloketones. XV. Preparation and some reactions of perhalocyclopentanones and -hexanones

  摘要：

  DOI：

  10.1021/jo01271a017
• 作为产物：
  描述：

  1,2-二氯六氟环戊烯 在 potassium fluoride 、 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-氯-3,3,4,4,5,5-甲氧基环戊烯
  参考文献：
  名称：

  Compounds of Phosphorus and Fluorine. IV. Reaction of 1-Chloro-2,3,3,4,4,5,5-heptafluorocyclopentene with Trialkyl Phosphites and Other Nucleophilic Reagents¹

  摘要：

  DOI：

  10.1021/jo01344a056

文献信息

• Polyfluorocycloalkenes. Part VIII. The stereoisomeric 2H-perfluorocyclo-pentyl and -hexyl methyl ethers
  作者：A. B. Clayton、R. Stephens、J. C. Tatlow

  DOI：10.1039/j39690002329

  日期：——

  The stereoisomeric 2H-octafluorocyclopentyl methyl ethers have been prepared by the lithium aluminum hydride reduction of the stereoisometric 2-chloro-octafluorocyctopentyl methyl ethers obtained from the cobaltic fluoride fluorination of 2-chlorohexafluorocyctopentyl methyl ether. Dehydrofluorination of both 2H-octafluorocyclopentyl methyl ethers with aqueous base was smooth and gave 1 - and 3-me

  立体异构体2 H-八氟环戊基甲基醚是通过氢化锂铝，将2-氯六氟环戊基甲基醚的氟化钴氟化制得的立体式2-氯-八氟环戊基甲基醚进行氢化而制得的。两种2 H-八氟环戊基甲基醚与含水碱的脱氟化氢反应均是平滑的，得到1-和3-甲氧基庚基七氟环戊烯。立体异构体2 H-十氟环己基甲基醚是从1 H -6-甲氧基-和1 H -2-甲氧基-八氟环己烯的氟化钴氟化物中获得的。该顺-2 ^ h-十氟环己基甲基醚和氢氧化钾水溶液分别以17:10的比例分别生成1-和3-甲氧基九氟环己烯，反式异构体以2：7的比例分别生成相同的产物，但不那么容易，与分配的立体化学一致。的反式-异构体是isolateds也从氢氧化钾的甲醇与decaflurocyclohexene的反应在协议与加成-消除过程。
• [EN] HYDROCHLOROFLUOROOLEFINS AND METHODS OF USING SAME<br/>[FR] HYDROCHLOROFLUOROOLÉFINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2020136533A1

  公开（公告）日：2020-07-02

  A composition including a compound having structural formula (I): Rf is a linear or branched perfluoroalkyl group having 1-3 atoms; n is 0-2; x is 1-3; and Rf' and Rf" are (i) independently, a linear or branched perfluoroalkyl group having 1-8 carbon atoms; or (ii) are bonded together to form a ring structure having 4-8 carbon atoms. The composition further includes a hydrocarbon contaminant.

  一种化合物的组合物，其结构式为（I）：Rf是具有1-3个原子的线性或支链全氟烷基；n为0-2；x为1-3；Rf'和Rf"是（i）独立的，具有1-8个碳原子的线性或支链全氟烷基；或（ii）结合在一起形成具有4-8个碳原子的环状结构。该组合物还包括一个碳氢污染物。
• Reaction of sulfur trioxide with cyclic fluorovinyl ethers
  作者：Bruce E. Smart、Carl G. Krespan

  DOI：10.1021/ja00446a038

  日期：1977.2
• <b>Nucleophilic Displacement Reactions of Polyhalogenated Cyclopentadienes and Cyclopentenes. I</b>
  作者：E. T. McBee、D. L. Crain、R. D. Crain、L. R. Belohlav、H. P. Braendlin

  DOI：10.1021/ja00877a028

  日期：1962.9
• Henne; Latif, Journal of the Indian Chemical Society, 1953, vol. 30, p. 809,812
  作者：Henne、Latif

  DOI：——

  日期：——