全氟癸酸甲酯

全氟癸酸甲酯 基本信息
CAS号 307-79-9 分子式 C11H3F19O2
分子量 528.11000 精确质量  527.98300
PSA  26.30000 LogP  5.80410

基本信息 展开↓

CAS号:
307-79-9
3D弹球模型:
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分子式:
C11H3F19O2
分子量:
528.11000
中文名称:
全氟癸酸甲酯
英文名称:
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
中文别名:
全氟癸酸甲酯;
Perfluorooctanesulfonyl fluoride;
PERFLUORO-1-OCTANESULFONYL FLUORIDE;
PERFLUOROOCTANESULFONYL FLUORIDE;
PERFLUOROOCTANESULPHONYL FLUORIDE;
PERFLUOROOCTYL SULFONYL CHLORIDE;
PERFLUORO-N-OCTANESULFONYL FLUORIDE;
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonyl fluori;
heptadecafluorooctanesulphonyl fluoride;
Perfluorooctanesulfonylfluoride-RM90;
Perfluorooctanesulfonylfluoride,min.95%;
heptadecafluoro-1-octanesulfonyl fluoride;
posf;
Perfluorooctanesulphonyl fluoride 96%;
Perfluor;
Perfluoro-1-octanesulfonyl fluoride;
FC 123;
Freon 123;
HFA 123;
HSDB 6752;
Hydrochlorofluorocarbon;
R 123;
Refrigerant HCFC-123;
Refrigerant R 123;
Solkane 123;
1,1-Dichloro-2,2,2-trifluoroethane;
Ethane, 2,2-dichloro-1,1,1-trifluoro-;
2,2-Dichloro-1,1,1,2-tetrafluoroethane;
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid;
4-[4-[3-chloro-1-(2-chloroethyl)propyl]phenyl]butanoic acid;
Chlorambucil;
sodium 3-α,12-α-dihydroxy-5-β-cholan-24-oate;
Xanthotoxin;
xanthoxin;
zanthotoxin;
9-methoxy-7H-furo[3,2-g]chromen-7-one;
Methoxsale
英文别名:
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate;
Methyl Perfluorodecanoate;
nonadecafluoro-decanoic acid methyl ester;
Nonadecafluorodecanoic Acid Methyl Ester;
Perfluorodecanoic Acid Methyl Ester;
Nonadecafluor-decansaeure-methylester;
Methyl nonadecafluorodecanoate
精确分子量/精确质量:
527.98300
极性分子表面积/PSA:
26.30000
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:
MFCD00153211
EINECS:
000-000-0
BRN:
1810875
InChI:
InChI=1/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3

物化性质展开↓

密度:
1.762 g/mL at 25 °C(lit.)
沸点:
193 °C(lit.)
闪点:
>230 °F
折射率:
n20/D 1.308(lit.)
其它信息:

一、物性数据

性状:不可用

密度(g/mL,25/4):1.762

相对蒸汽密度(g/mL,空气=1)不可用

熔点(ºC):不可用

沸点(ºC,常压):193
沸点(ºC,5.2kPa): 不可用

折射率: 1.3085

闪点(ºC): 81

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

燃烧热(KJ/mol):不可用

临界温度(ºC): 不可用

临界压力(KPa): 不可用

油水(辛醇/水)分配系数的对数值:不可用 

爆炸上限(%,V/V):不可用

爆炸下限(%,V/V): 不可用

溶解性:不可用

安全信息展开↓

海关代码:
2915900090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 335-76-2

    十九氟癸酸

  • 307-79-9

    全氟癸酸甲酯

  • 334-48-5

    正癸酸

  • 307-79-9

    全氟癸酸甲酯

  • 67-56-1

    甲醇

  • +

  • 307-38-0

    2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl chloride

  • 307-79-9

    全氟癸酸甲酯

化学图谱

  1. 全氟癸酸甲酯质谱(MS)

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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↓

Name: METHYL NONADECAFLUORODECANOATE 98% Material Safety Data Sheet
Synonym:
CAS: 307-79-9
Section 1 - Chemical Product   MSDS Name:METHYL NONADECAFLUORODECANOATE 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
307-79-9 METHYL NONADECAFLUORODECANOATE 98% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately 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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 307-79-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: colorless to light yellow
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.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight:

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 307-79-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
METHYL NONADECAFLUORODECANOATE - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 307-79-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 307-79-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 307-79-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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:57.58

2、   摩尔体积(m3/mol):317.5

3、   等张比容(90.2K):631.0

4、   表面张力(dyne/cm):15.5

5、   极化率10-24cm3):22.82

计算化学数据


1.疏水参数计算参考值(XlogP):6.6

2.氢键供体数量:0

3.氢键受体数量:21

4.可旋转化学键数量:9

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:32

8.表面电荷:0

9.复杂度:717

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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    2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl chloride

  • 334-48-5

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