3-(七氟异丙氧基)丙基三氯硅烷

3-(七氟异丙氧基)丙基三氯硅烷 基本信息
CAS号 19116-61-1 分子式 C9H15F7O4Si
分子量 348.28700 精确质量 　348.06300
PSA 　36.92000 LogP 　3.06160
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
19116-61-1
分子式：
C9H15F7O4Si
分子量：
348.28700
中文名称：
3-(七氟异丙氧基)丙基三氯硅烷
英文名称：
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
中文别名：
3-(七氟异丙氧基)丙基三氯硅烷;
3-七氟异丙氧基丙基三甲氧基硅烷
英文别名：
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane;
2,6-Bis(Chloromethyl)-4-Methylphenyl Acetate;
2,6-Bis(Chloromethyl)-P-Tolyl Acetate;
Phenol, 2,6-Bis(Chloromethyl)-4-Methyl-, Acetate;
3-(Heptafluoroisopropoxy)Propyltrimethoxysilane;
hexadecanedioic acid,dimethyl ester;
DIMETHYL HEXADECANEDIOATE;
1-Z-4-piperidone;
piperidin-4-one, CBZ protected;
N-CBZ-4-piperidone;
N-Benzyloxycarbonyl-4-Piperidone;
Benzyl 4-oxopiperidine-1-carboxylate;
1-Piperidinecarboxylic acid,4-oxo-,phenylmethyl ester;
1-Cbz-4-Piperidone;
(S)-1,1'-Binaphthalene-2,2'-Diol;
S-1,1'-Bi-2-Naphthol;
2,2'-Dihydroxy-1,1'-binaphthyl;
γ-Chloropropyl methyldimethoxy silane;
γ-Chloropropylmethyldimethoxysilane;
trans-Zearalenone;
(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-;
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H
精确分子量/精确质量：
348.06300
极性分子表面积/PSA：
36.92000
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。
InChI：
InChI=1/C11H12Cl2O2/c1-7-3-9(5-12)11(15-8(2)14)10(4-7)6-13/h3-4H,5-6H2,1-2H3

物化性质展开↓

外观与性状：
透明无色液体
密度：
1.25
沸点：
85ºC (3 mmHg)
闪点：
79.1ºC
折射率：
1.346-1.348
蒸汽压：
3.16E-05mmHg at 25°C
存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：1.25

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：无可用

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.346-1.348

8.       闪点（ºC）：85/3 mmHg

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

危险类别码：
R36/37/38
安全说明：
37/39-26
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;

毒理性展开↓

生态数据：

 

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: 3-Heptafluoroisopropoxypropyltrimethoxysilane Material Safety Data Sheet
Synonym: None
CAS: 19116-61-1
Section 1 - Chemical Product   MSDS Name:3-Heptafluoroisopropoxypropyltrimethoxysilane Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19116-61-1 3-Heptafluoroisopropoxypropyltrimethox 98 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause conjunctivitis. May cause blindness. Contact with the eyes may cause corneal damage.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May cause systemic toxic effects on the heart, liver, and kidneys. May cause central nervous system effects. May cause headache, nausea, fatigue, and dizziness. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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. 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. Contact with water liberates highly flammable gases.
Extinguishing Media:
Use carbon dioxide or dry chemical.
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. Remove all sources of ignition.
Provide ventilation. Do not expose spill to water.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing vapor or mist.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from moisture.
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# 19116-61-1: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Liquid
Color: clear, colorless
Odor: ethereal odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 85 deg C @ 3 mmHg
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: Reacts.
Specific Gravity/Density: 1.25
Molecular Formula: C9H15F7O4Si
Molecular Weight: 348.29
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. Material generates methanol on contact with water or moisture on the skin, eyes and mucous membranes.
Conditions to Avoid:
Excess heat, Reacts with water to form methanol. The heat of the reaction may ignite the vapor of the alcohol..
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, water.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, silicon dioxide, methanol.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19116-61-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Heptafluoroisopropoxypropyltrimethoxysilane - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 19116-61-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19116-61-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19116-61-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：60.48

2、   摩尔体积（m3/mol）：276.5

3、   等张比容（90.2K）：579.8

4、   表面张力（3.0 dyne/cm）：19.3

5、   极化率（0.5 10-24cm3）：23.97

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:11

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积36.9

7.重原子数量:21

8.表面电荷:0

9.复杂度:294

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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