苯基三乙氧基硅烷

苯基三乙氧基硅烷 基本信息
CAS号 780-69-8 分子式 C12H20O3Si
分子量 240.37100 精确质量 　240.11800
PSA 　27.69000 LogP 　1.94200
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
780-69-8
3D弹球模型：
立即前往扯扯看
分子式：
C12H20O3Si
分子量：
240.37100
中文名称：
苯基三乙氧基硅烷
英文名称：
Phenyltriethoxysilane
中文别名：
苯基三乙氧基硅烷;
苯基三乙氧基;
三乙氧基苯基硅烷
英文别名：
Phenyltriethoxysilane;
Triethoxyfenylsilan;
monophenyl triethoxy silane;
phenyltriethyloxysilane;
PTS 32;
triethoxyphenyl-silan;
TRIETHOXYPHENYLSILANE;
LS 4480;
phenyltriethoxy-silan;
CP0320;
HD-128;
TSL 8178
精确分子量/精确质量：
240.11800
极性分子表面积/PSA：
27.69000
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：
MFCD00009065
EINECS：
212-305-8
PubChem：
24887421
BRN：
2940602
InChI：
InChI=1/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

生产制备方法及用途展开↓

制备方法

用作RTV硅橡胶的交联剂,制备高分子有机化合物的原料

用途简介

用途

用作RTV硅橡胶的交联剂，制备高分子有机化合物的原料

物化性质展开↓

外观与性状：
无色透明液体
密度：
0.996 g/mL at 25 °C(lit.)
熔点：
<-50ºC
沸点：
112-113 °C10 mm Hg(lit.)
闪点：
109 °F
水溶解性：
insoluble
折射率：
n20/D 1.461(lit.)
蒸汽密度：
>1 (vs air)
存储条件/存储方法：

储存在干爽的惰性气体下，保持容器密封，储存在阴凉，干燥的地方

稳定性相关：

常温常压下稳定，避免强氧化剂 水分接触

其它信息：

1.      性状：无色透明液体，气味温和

2.      密度（g/mL,25/4℃）：0.996 g/mL 

3.      相对蒸汽密度（g/mL,空气=1）：>1

4.      熔点（ºC）：<-50°C

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC, 10 mm Hg）：112-113 °C

7.      折射率：n20/D 1.461

8.      闪点（ºC）：109 °F

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,25ºC）：未确定

12.   饱和蒸气压（kPa,60ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：不溶于水

安全信息展开↓

包装等级：
III
风险类别：
3.2
海关代码：
29310095
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R10;R21
安全说明：
S37/39-S26-S16-S24/25
RTECS号：
VV4900000
危险标志：
Xn:Harmful;

合成路线查看所有的合成路线

  • 637-92-3

    叔丁基乙醚

  • +

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    苯基三氯硅烷

  • →

    ~98%

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    苯基三乙氧基硅烷

  • 64-17-5

    乙醇

  • +

  • 694-53-1

    苯硅烷

  • →

    ~92%

  • 780-69-8

    苯基三乙氧基硅烷

  • 108-86-1

    溴代苯

  • +

  • 78-10-4

    硅酸四乙酯

  • →

    ~90%

  • 780-69-8

    苯基三乙氧基硅烷

化学图谱

  1. 苯基三乙氧基硅烷质谱(MS)

  2. 苯基三乙氧基硅烷核磁图(13CNMR)

  3. 苯基三乙氧基硅烷核磁图(1HNMR)

  4. 苯基三乙氧基硅烷红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VV4900000
CHEMICAL NAME :
Silane, phenyltriethoxy-
CAS REGISTRY NUMBER :
780-69-8
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H20-O3-Si
MOLECULAR WEIGHT :
240.41
WISWESSER LINE NOTATION :
2O-SI-R&O2&O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1236,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1236,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2830 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3180 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6434 No. of Facilities: 236 (estimated) No. of Industries: 6 No. of Occupations: 6 No. of Employees: 6505 (estimated) No. of Female Employees: 3083 (estimated)
毒理学数据：

急性毒性：

口腔 LD50         2830uL/kg(rat)

皮肤LD50          3180uL/kg(rbt)

刺激皮肤 mild     500mg/24H(rbt)

刺激眼睛 mild    500mg/24H(rbt)

主要的刺激性影响：

在皮肤上面:刺激皮肤和黏膜。

在眼睛上面:刺激的影响。

致敏作用：没有已知的敏化作用。

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: Phenyltriethoxysilane 98% Material Safety Data Sheet
Synonym: Triethoxyphenylsilane
CAS: 780-69-8
Section 1 - Chemical Product   MSDS Name:Phenyltriethoxysilane 98% Material Safety Data Sheet
Synonym:Triethoxyphenylsilane
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
780-69-8 Phenyltriethoxysilane 98 212-305-8
Hazard Symbols: XN
Risk Phrases: 10 21
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Harmful in contact with skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Ethanol is mainly metabolized in the liver, which is also one of the primary target organs. While ethanol is well known to cause cirrhosis of the liver in alcoholics, liver cirrhosis has also been produced in rabbits exposed by inhalation.
Section 4 - FIRST AID MEASURES
  Eyes: 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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
Treat symptomatically and supportively.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Contact with water liberates highly flammable gases.
Extinguishing Media:
Use carbon dioxide or dry chemical. Do NOT get water inside containers.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Do not get water inside containers. A vapor suppressing foam may be used to reduce vapors.
Section 7 - HANDLING and STORAGE
  Handling:
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area. 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 780-69-8: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 112-113 deg C @ 10 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: 265 deg C ( 509.00 deg F)
Flash Point: 42 deg C ( 107.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Reacts.
Specific Gravity/Density: .9900 g/ml
Molecular Formula: C12H20O3Si
Molecular Weight: 240.38
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Material generates ethanol on contact with water.
Conditions to Avoid:
Ignition sources, moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, water.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, silicon dioxide, ethanol.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 780-69-8: VV4900000 LD50/LC50:
CAS# 780-69-8: Draize test, rabbit, eye: 500 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, rat: LD50 = 2830 uL/kg; Skin, rabbit: LD50 = 3180 uL/kg.
Carcinogenicity:
Phenyltriethoxysilane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 10 Flammable.
R 21 Harmful in contact with skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 780-69-8: No information available.
Canada
CAS# 780-69-8 is listed on Canada's DSL List.
CAS# 780-69-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 780-69-8 is listed on the TSCA inventory.

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：68.51

2、   摩尔体积（cm3/mol）：243.1

3、   等张比容（90.2K）：565.0

4、   表面张力（dyne/cm）：29.1

5、   介电常数：

6、   偶极距（10-24cm3）：

7、   极化率：27.15

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:3

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积27.7

7.重原子数量:16

8.表面电荷:0

9.复杂度:164

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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