N,O-双(三甲基硅烷基)三氟乙酰胺

N,O-双(三甲基硅烷基)三氟乙酰胺 基本信息
CAS号 25561-30-2 分子式 C8H18F3NOSi2
分子量 257.40100 精确质量 　257.08800
PSA 　21.59000 LogP 　3.63360
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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：
25561-30-2
3D弹球模型：
立即前往扯扯看
分子式：
C8H18F3NOSi2
分子量：
257.40100
中文名称：
N,O-双(三甲基硅烷基)三氟乙酰胺
英文名称：
N,O-bis(trimethylsilyl)trifluoroacetamide
中文别名：
N,O-双(三甲基硅烷基)三氟乙酰胺;
BSTFA,衍生化级;
N,O-双(三甲基硅基)三氟乙酰胺;
双(三甲基硅基)三氟乙酰胺
英文别名：
N,O-bis(trimethylsilyl)trifluoroacetamide;
N,O-bis-TMS-trifluoroacetamide;
8 Reaction vial,capacity;
N,O-BSTFA;
bstfa + tmcs;
BSTFA;
N,O-Bis(trimethylsilyl)trifluoroacetamide Kit BSTFA 1 mL ×Bis(trimethylsilyl);
REGISIL RC-2;
REGISIL RC-3;
REGISIL RC-1;
Bis(trimethylsilyl)trifluoroacetamide;
bstfa kit;
REGISIL(R) RC-1
精确分子量/精确质量：
257.08800
极性分子表面积/PSA：
21.59000
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：
MFCD00008269
EINECS：
247-103-9
BRN：
3607620
InChI：
InChI=1/C8H18F3NOSi2/c1-14(2,3)8(9,15(4,5)6)7(13)12(10)11/h1-6H3

生产制备方法及用途展开↓

制备方法

医药中间体。

用途简介

用途

医药中间体，中性硅烷化保护剂，主要用于合成头孢类抗生素

物化性质展开↓

外观与性状：
透明至淡黄色透明液体
密度：
0.97 g/mL(lit.)
熔点：
-10°C
沸点：
45-50 °C14 mm Hg(lit.)
闪点：
75 °C
水溶解性：
hydrolyses
折射率：
n20/D 1.384(lit.)
蒸汽压：
0.193mmHg at 25°C
存储条件/存储方法：

2-8℃

稳定性相关：

如果遵照规格使用和储存则不会分解

避免接触氧化物，酸

其它信息：

 

1.         性状：无色液体。

2.         密度（g/mL,25/4℃）： 0.969

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）： 未确定

5.         沸点（ºC,常压）： 145～147

6.         沸点（ºC,5.2kPa）：未确定

7.         折射率： 1.3840

8.         闪点（ºC）： 23

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：未确定。

安全信息展开↓

包装等级：
III
风险类别：
3
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;R34
安全说明：
S26-S36/37/39-S45-S16
危险标志：
C:Corrosive

合成路线查看所有的合成路线

  • 354-32-5

    三氟乙酰氯

  • +

  • 1070-89-9

    双(三甲基硅基)氨基钠

  • →

  • 25561-30-2

    N,O-双(三甲基硅烷基)三氟乙酰胺

  • 75-77-4

    三甲基氯硅烷

  • +

  • 354-38-1

    2,2,2-三氟乙酰胺

  • →

  • 25561-30-2

    N,O-双(三甲基硅烷基)三氟乙酰胺

化学图谱

  1. N,O-双(三甲硅基)三氟乙酰胺红外图谱(IR1)

  2. N,O-双(三甲硅基)三氟乙酰胺质谱(MS)

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毒理性展开↓

毒理学数据：

主要的刺激性影响：

在皮肤上面：

在皮肤和粘膜上造成腐蚀性影响

刺激皮肤和粘膜

在眼睛上面:

强烈的腐蚀性影响

刺激的影响

致敏作用：没有已知的敏化作用。

生态数据：

对水是稍微危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: Bis(trimethylsilyl)trifluoroacetamide packaged in 1 ml ampules Material Safety Data Sheet
Synonym: BSTF
CAS: 25561-30-2
Section 1 - Chemical Product   MSDS Name:Bis(trimethylsilyl)trifluoroacetamide packaged in 1 ml ampules Material Safety Data Sheet
Synonym:BSTF
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
25561-30-2 Bis(trimethylsilyl)trifluoroacetamide, 99+% 247-103-9
Hazard Symbols: XI
Risk Phrases: 10 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
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 immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Flammable liquid and vapor.
Extinguishing Media:
Use agent most appropriate to extinguish fire.
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.
Use a spark-proof tool.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Appearance: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 45.0 - 50.0 deg C @
Freezing/Melting Point: -10 deg C
Autoignition Temperature: > 300 deg C (> 572.00 deg F)
Flash Point: 43 deg C ( 109.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: hydrolysis
Specific Gravity/Density: .9690g/cm3
Molecular Formula: CF3C=NSi(CH3)3OSi(CH3)3
Molecular Weight: 257.39
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, electrical sparks.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen, silicon oxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 25561-30-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bis(trimethylsilyl)trifluoroacetamide, packaged in 1 ml ampules - 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
  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.
Dangerous Goods Code: 3(31C)
UN Number: 1993
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and 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# 25561-30-2: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25561-30-2 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 25561-30-2 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：60.75

2、   摩尔体积（cm3/mol）：252.8

3、   等张比容（90.2K）：523.1

4、   表面张力（dyne/cm）：18.3

5、   极化率（10-24cm3）：24.08

 

计算化学数据

1、   氢键供体数量：0

2、   氢键受体数量：5

3、   可旋转化学键数量：3

4、   拓扑分子极性表面积（TPSA）：21.6

5、   重原子数：15

6、   表面电荷：0

7、   复杂度：250

8、   同位素原子数量：0

9、   确定原子立构中心数量：0

10、           不确定原子立构中心数量：0

11、           确定化学键立构中心数量：0

12、           不确定化学键立构中心数量：1

13、           共价键单元数量：1

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