三苯基甲醇

三苯基甲醇 基本信息
CAS号 76-84-6 分子式 C19H16O
分子量 260.33000 精确质量 　260.12000
PSA 　20.23000 LogP 　3.97080
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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 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
76-84-6
3D弹球模型：
立即前往扯扯看
分子式：
C19H16O
分子量：
260.33000
中文名称：
三苯基甲醇
英文名称：
Triphenylmethanol
中文别名：
三苯基甲醇;
羟基三苯基甲烷;
三苯甲醇
英文别名：
Triphenylmethanol;
triphenylmethyl alcohol;
triphenylcarbinole;
diphenyl-phenyl carbinol;
PH3C-OH;
Ih-Tetrazole;
TRT-OH;
BL 3756;
triphenyl methanol;
Tritylcarbinol;
TRITYL ALCOHOL;
Tritanol;
TRIPHENYLCARBINOL
精确分子量/精确质量：
260.12000
极性分子表面积/PSA：
20.23000
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：
MFCD00004445
EINECS：
200-988-5
PubChem：
24889781
BRN：
1460837
InChI：
InChI=1/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H

生产制备方法及用途展开↓

制备方法

由三苯氯甲烷水解，或溴化苯基镁（格利雅试剂）与二苯甲酮（或苯甲酸乙酯）制备。

合成制备方法

由三苯氯甲烷水解，或溴化苯基镁（格利雅试剂）与二苯甲酮（或苯甲酸乙酯）制备。

用途简介

用作合成试剂及中间体。

用途

用作合成试剂及中间体。

物化性质展开↓

外观与性状：
白色至灰白色粉末
密度：
1.13 g/cm3
熔点：
160-163 °C(lit.)
沸点：
360 °C(lit.)
闪点：
360-380°C
水溶解性：
INSOLUBLE
折射率：
1.621
存储条件/存储方法：

阴凉处密封保存。

其它信息：

        1.       性状：片状晶体。

2.       密度（g/mL,25/4℃）：1.199

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：164.2℃

5.       沸点（ºC,常压）：380℃

6.       沸点（ºC,5.2kPa）：不确定

7.       折射率：1.4896（25℃）

8.       闪点（ºC）：不确定

9.       比旋光度（º）：-14.7°(c=2.5，氯仿)

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不溶于水和石油醚，溶于乙醇、乙醚、丙酮、苯，溶于浓硫酸显黄色，溶于冰乙酸时无色

 

 

 

 

 

安全信息展开↓

海关代码：
29062900
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R38
安全说明：
S22-S24/25
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 76-83-5

    三苯基氯甲烷

  • →

    ~99%

  • 76-84-6

    三苯基甲醇

  • 519-73-3

    三苯基甲烷

  • →

    ~99%

  • 76-84-6

    三苯基甲醇

  • 50653-07-1

    triphenylmethyl TMS ether

  • →

    ~99%

  • 76-84-6

    三苯基甲醇

化学图谱

  1. 三苯甲醇红外图谱(IR1)

  2. 三苯甲醇红外图谱(IR2)

  3. 三苯甲醇质谱(MS)

  4. 三苯甲醇核磁图(13CNMR)

  5. 三苯甲醇Raman光谱

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MSDS 展开↓

Name: Triphenylmethanol 97% Material Safety Data Sheet
Synonym: Triphenylcarbinol; Trityl alcoho
CAS: 76-84-6
Section 1 - Chemical Product   MSDS Name:Triphenylmethanol 97% Material Safety Data Sheet
Synonym:Triphenylcarbinol; Trityl alcoho
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
76-84-6 Triphenylmethanol 97.0 200-988-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated.
Chronic:
None
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 if irritation develops or persists. Flush skin with plenty of soap and water.
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.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 76-84-6: 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 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: Powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 380 deg C @ 760.00mmHg
Freezing/Melting Point: 164.2 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.199
Molecular Formula: C19H16O
Molecular Weight: 260.32
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Acids - acid chlorides - acid anhydrides - oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 76-84-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Triphenylmethanol - 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# 76-84-6: 2
Canada
CAS# 76-84-6 is listed on Canada's DSL List.
CAS# 76-84-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76-84-6 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：81.07

2、   摩尔体积（m3/mol）：230.2

3、   等张比容（90.2K）：601.1

4、   表面张力（dyne/cm）：46.4

5、   极化率（10-24cm3）：32.13

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:1

3.氢键受体数量:1

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:20

8.表面电荷:0

9.复杂度:235

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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