六氟-2-丁炔

六氟-2-丁炔 基本信息
CAS号 692-50-2 分子式 C4F6
分子量 162.03300 精确质量 　161.99000
PSA 　0.00000 LogP 　2.11440
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
692-50-2
3D弹球模型：
立即前往扯扯看
分子式：
C4F6
分子量：
162.03300
中文名称：
六氟-2-丁炔
英文名称：
1,1,1,4,4,4-hexafluorobut-2-yne
中文别名：
六氟-2-丁炔;
4-oxobutyric acid;
4-oxobutanoic acid;
Nepsilon-Acetyl-L-lysine;
Isopropyl 2-propenoate;
Isopropyl acrylate;
NSC 32619;
propan-2-yl prop-2-enoate;
iso-Propyl acrylate;
Methacrylic acid, 2-ethylhexyl ester;
NSC 24173;
NSC 32647;
(2S)-2-ethylhexyl 2-methylprop-2-enoate;
(2R)-2-ethylhexyl 2-methylprop-2-enoate;
2-Propenoic acid,2-methyl-, 2-ethylhexyl ester;
2-Methyl-2-propenoic acid 2-ethylhexyl ester;
Methacrylicacid, 2-ethylhexyl ester (6CI,7CI,8CI);
1-Hexanol, 2-ethyl-, methacrylate(6CI);
Acryester EH;
Blemmer EHMA 25;
H 22;
H 22(methacrylate);
Light Ester EH;
2-Ethylhexyl methacrylate
英文别名：
1,1,1,4,4,4-hexafluorobut-2-yne;
2-Butyne,1,1,1,4,4,4-hexafluoro;
Hexafluoro-2-butyne;
EINECS 211-732-7;
1,1,1,4,4,4-Hexafluoro-2-butyne;
Butyne 06;
perfluorobut-2-yne;
hexafluorobutyne;
perfluoro-2-butyne;
Hexafluorobut-2-yne
精确分子量/精确质量：
161.99000
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：
MFCD00039264
EINECS：
211-732-7
PubChem：
24865304
InChI：
InChI=1/C4F6/c5-3(6,7)1-2-4(8,9)10

物化性质展开↓

外观与性状：
无色气体
密度：
1,602 g/cm3
熔点：
−117 °C(lit.)
沸点：
−25 °C(lit.)
闪点：
-36ºC
折射率：
1.281
存储条件/存储方法：

常温，避光，通风干燥处

稳定性相关：

常温常压下稳定

其它信息：

1.      气相标准热熔(J·mol-1·K-1)：130.03

2.      密度（g/mL,15℃）：1.602

3.      气相标准熵(J·mol-1·K-1)：393.69

4.      熔点（ºC）：-117.4

5.      沸点（ºC,常压）：-24

6.      折射率：未确定

7.      闪点（ºC）：未确定

8.      自燃点或引燃温度（ºC）：未确定

9.      蒸气压（kPa,25ºC）：105

10.   饱和蒸气压（kPa,60ºC）：未确定

11.   燃烧热（KJ/mol）：未确定

12.   临界温度（ºC）：未确定

13.   临界压力（KPa）：未确定

14.   油水（辛醇/水）分配系数的对数值：未确定

15.   爆炸上限（%,V/V）：未确定

16.   爆炸下限（%,V/V）：未确定

17.   溶解性：未确定

安全信息展开↓

风险类别：
2.3
海关代码：
2903399090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
12-23
安全说明：
S16-S33-S45
RTECS号：
ES0702500
安全标志：
S16:远离火源。
S33:采取防护措施防止静电发生。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
危险标志：
F+: Highly flammable;T: Toxic;

合成路线查看所有的合成路线

  • 685-63-2

    全氟丁二烯

  • →

    ~99%

  • 692-50-2

    六氟-2-丁炔

  • 697-11-0

    六氟环丁烯

  • →

    ~91%

  • 692-50-2

    六氟-2-丁炔

  • 303-04-8

    2,3-二氯六氟-2-丁烯

  • →

    ~80%

  • 692-50-2

    六氟-2-丁炔

毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: Hexafluoro-2-butyne 99% Material Safety Data Sheet
Synonym:
CAS: 692-50-2
Section 1 - Chemical Product   MSDS Name:Hexafluoro-2-butyne 99% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
692-50-2 Hexafluoro-2-butyne 99% 211-732-7
Hazard Symbols: Not available.
Risk Phrases:
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Appearance: Not available.
Not available.
Target Organs: None known.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.
Section 4 - FIRST AID MEASURES
  Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.
Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Exposure Limits +--------------------+-------------------+-------------------+-----------------+ | Chemical Name | ACGIH | NIOSH |OSHA - Final PELs| |--------------------|-------------------|-------------------|-----------------| | Hexafluoro-2-butyne|none listed |none listed |none listed | +--------------------+-------------------+-------------------+-----------------+ OSHA Vacated PELs: Hexafluoro-2-butyne: No OSHA Vacated PELs are listed for this chemical.
Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Appearance: Not available.
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.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.
Decomposition Temperature:
Solubility:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight:
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Not available.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 692-50-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Hexafluoro-2-butyne - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Chemical waste generators must determine whether a discarded chemical is classif as a hazardous waste.
US EPA guidelines for the classification determination are listed in 40 CFR Part Additionally, waste generators must consult state and local hazardous waste regu ensure complete and accurate classification.
RCRA P-Series: None listed.
RCRA U-Series: None listed.
Section 14 - TRANSPORT INFORMATION
 
CDG/CPL
Not classified as hazardous for supply.
Canadian TDG
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 692-50-2: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 692-50-2 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 692-50-2 is listed on the TSCA inventory.
Health & Safety Reporting List
None of the chemicals are on the Health & Safety Reporting List.
Chemical Test Rules
None of the chemicals in this product are under a Chemical Test Rule.
Section 12b
None of the chemicals are listed under TSCA Section 12b.
TSCA Significant New Use Rule
None of the chemicals in this material have a SNUR under TSCA.
SARA
Section 302 (RQ)
None of the chemicals in this material have an RQ.
Section 302 (TPQ)
None of the chemicals in this product have a TPQ.
Section 313
No chemicals are reportable under Section 313.
Clean Air Act:
This material does not contain any hazardous air pollutants.
This material does not contain any Class 1 Ozone depletors.

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↓

计算化学数据

1.疏水参数计算参考值（XlogP）:2.5

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:0

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:10

8.表面电荷:0

9.复杂度:151

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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