二苯甲基硅烷

二苯甲基硅烷 基本信息
CAS号 776-76-1 分子式 C13H14Si
分子量 198.33600 精确质量  198.08600
PSA  0.00000 LogP  1.65770

基本信息 展开↓

CAS号:
776-76-1
3D弹球模型:
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分子式:
C13H14Si
分子量:
198.33600
中文名称:
二苯甲基硅烷
英文名称:
Methyldiphenylsilane
中文别名:
二苯甲基硅烷;
二苯基甲基硅烷;
甲基二苯基硅烷
英文别名:
Methyldiphenylsilane;
DIPHENYLMETHYLSILANE
精确分子量/精确质量:
198.08600
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:
MFCD00008255
EINECS:
212-281-9
PubChem:
24855830
BRN:
1867183
InChI:
InChI=1/C13H13Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

物化性质展开↓

外观与性状:
无色液体
密度:
0.995 g/mL at 25 °C(lit.)
熔点:
20 °C
沸点:
93-94 °C1 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.571(lit.)
存储条件/存储方法:

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,避免氧化物接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):0.995 g/mL

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):20 °C

5.       沸点(ºC,常压):未确定

6.       沸点(ºC, 1 mm Hg):93-94 °C

7.       折射率:n20/D 1.571

8.       闪点(ºF):>230 °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:未确定

安全信息展开↓

WGK_Germany:
1
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:
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志:
Xi

合成路线查看所有的合成路线

  • 4319-49-7

    N-氨基吗啉

  • +

  • 1172-76-5

    1,2-二甲基-1,1,2,2-四苯基乙硅烷

  • ~95%

  • 776-76-1

    二苯甲基硅烷

  • +

  • 121667-15-0

    1-[bis(diphenylmethylsilyl)amino]morpholine

  • 1172-76-5

    1,2-二甲基-1,1,2,2-四苯基乙硅烷

  • +

  • 57-14-7

    偏二甲肼

  • ~86%

  • 776-76-1

    二苯甲基硅烷

  • +

  • 121667-17-2

    1,1-bis(diphenylmethylsilyl)-2,2-dimethylhydrazine

  • 72443-54-0

    Benzyldimethyl[(methyldiphenylsilyl)methyl]ammonium bromide

  • ~79%

  • 103-83-3

    N,N-二甲基苄胺

  • +

  • 776-76-1

    二苯甲基硅烷

  • +

  • 54926-32-8

    N,N-dimethyl-1-[methyl(diphenyl)silyl]methanamine

  • +

  • 4525-48-8

    N,N-dimethyl-1-(2-methylphenyl)methanamine

化学图谱

  1. 二苯基甲基硅烷质谱(MS)

  2. 二苯基甲基硅烷核磁图(13CNMR)

  3. 二苯基甲基硅烷核磁图(1HNMR)

  4. 二苯基甲基硅烷红外图谱(IR1)

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毒理性展开↓

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: Diphenylmethylsilane Material Safety Data Sheet
Synonym: Methyldiphenylsilane
CAS: 776-76-1
Section 1 - Chemical Product   MSDS Name:Diphenylmethylsilane Material Safety Data Sheet
Synonym:Methyldiphenylsilane

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
776-76-1 Diphenylmethylsilane >95 212-281-9
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.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Effects may be delayed.

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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 776-76-1: 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: colorless
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: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Negligible.
Specific Gravity/Density: .990 g/ml
Molecular Formula: C13H14Si
Molecular Weight: 198.34

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, silicon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 776-76-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diphenylmethylsilane - 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# 776-76-1: No information available.
Canada
CAS# 776-76-1 is listed on Canada's NDSL List.
CAS# 776-76-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 776-76-1 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↓

计算化学数据


1、   氢键供体数量:0

2、   氢键受体数量:0

3、   可旋转化学键数量:2

4、   拓扑分子极性表面积(TPSA):0

5、   重原子数量:14

6、   表面电荷:0

7、   复杂度:137

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:0

13、   共价键单元数量:1

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