十四氟-2-甲基戊烷

十四氟-2-甲基戊烷 基本信息
CAS号 355-04-4 分子式 C6F14
分子量 338.04200 精确质量  337.97800
PSA  0.00000 LogP  4.65220

基本信息 展开↓

CAS号:
355-04-4
3D弹球模型:
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分子式:
C6F14
分子量:
338.04200
中文名称:
十四氟-2-甲基戊烷
英文名称:
1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane
中文别名:
十四氟-2-甲基戊烷;
2-三氟甲基全氟戊烷;
2-三氟甲基-1,1,1,2,3,3,4,4,5,5,5-十一氟代戊烷
英文别名:
1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane;
Perfluoro-2-methylpentane;
Undecafluor-2-trifluormethyl-pentan;
Tetradecafluoro-2-methylpentane;
Tetradecafluorisohexan;
4H-undecafluoro-4-trifluoromethyl-pentane;
Perfluoroisohexane;
undecafluoro-2-trifluoromethyl-pentane;
FC-5114mmyc2;
EINECS 206-575-6
精确分子量/精确质量:
337.97800
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD000
EINECS:
206-575-6
InChI:
The Key: ROVMKEZVKFJNBD-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明无色液体
密度:
1,723 g/cm3
熔点:
<-150ºC
沸点:
58°C
闪点:
2.1ºC
折射率:
1.247
其它信息:

一、物性数据

性状:不可用

密度(g/mL,25/4℃): 1.723

相对密度(20℃,4℃):0.7326

熔点(ºC):-170.7

沸点(ºC,常压):57.7

沸点(ºC,5.2kPa): 不可用

折射率: 1.3000

常温折射率(n20):1.2564

比旋光度(º): 不可用

自燃点或引燃温度(ºC): 不可用

蒸气压(kPa,25ºC): 不可用

饱和蒸气压(kPa,60ºC): 不可用

临界温度(K):180.95

临界压力(MPa):1.923

临界密度(g·cm-3):0.614

临界体积(cm3·mol-1):550

临界压缩因子:0.280

偏心因子:0.464

溶解性:不可用

安全信息展开↓

海关代码:
2903399090
安全说明:
S41
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 2070-70-4

    六氟丙烯二聚体

  • ~94%

  • 355-04-4

    十四氟-2-甲基戊烷

  • 1584-03-8

    全氟(2-甲基-2-戊烯)

  • ~90%

  • 355-04-4

    十四氟-2-甲基戊烷

  • 107-83-5

    2-甲基戊烷

  • ~54%

  • 355-42-0

    全氟己烷

  • +

  • 355-04-4

    十四氟-2-甲基戊烷

  • +

  • 865-71-4

    1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane

  • +

  • 1805-22-7

    全氟甲基环戊烷

  • +

  • 112156-74-8

    1,1,1,2,2,4,4,4-octafluoro-3,3-bis(trifluoromethyl)butane

化学图谱

  1. 十四氟-2-甲基戊烷质谱(MS)

  2. 十四氟-2-甲基戊烷红外图谱(IR1)

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毒理性展开↓

毒理学数据:

二、毒理学数据:

急性毒性:不可用 。

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Tetradecafluoro-2-methylpentane
    Portland OR
    Synonym        Pentane,    
    1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)-
    (CA INDEX NAME); Perfluoro-2-methylpentane;
    Perfluoroisohexane
    C6F14
    Chemical Formula
    CAS Number        355-04-4    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    Min. 99.0 (GC) Not available.        Not available.    
    Tetradecafluoro-2-methylpentane        355-04-4    

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    These products include toxic carbon oxides (CO,CO2), halogenated compounds
    Combustion Products
    WARNING: Highly toxic HF gas is produced during combustion.
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Tetradecafluoro-2-methylpentane

Section VI.        Accidental Release Measures    
    Spill Cleanup        Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing    
    any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Liquid. (Clear, colorless.)        Solubility    
    Physical state @ 20°C        Not available.    
    1.73 (water=1)
    Specific Gravity
    338.04
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
    Continued on Next Page
    Tetradecafluoro-2-methylpentane

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC) 206-575-6
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2903399090

概述:
2903399090. 其他无环烃的氟化、溴化或碘化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:31.93

2、   摩尔体积(cm3/mol):204.1

3、   等张比容(90.2K):374.5

4、   表面张力(dyne/cm):11.3

5、   极化率(10-24cm3):12.65

计算化学数据


1.疏水参数计算参考值(XlogP):5.1

2.氢键供体数量:0

3.氢键受体数量:14

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:20

8.表面电荷:0

9.复杂度:337

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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