二乙基砜

二乙基砜 基本信息
CAS号 597-35-3 分子式 C4H10O2S
分子量 122.18600 精确质量  122.04000
PSA  42.52000 LogP  1.52180

基本信息 展开↓

CAS号:
597-35-3
3D弹球模型:
立即前往扯扯看
分子式:
C4H10O2S
分子量:
122.18600
中文名称:
二乙基砜
英文名称:
DIETHYL SULFONE
中文别名:
二乙基砜;
乙基砜;
1,1’-磺酰基二乙烷;
二乙砜
英文别名:
DIETHYL SULFONE;
Ethanesulfonyl-ethane;
ETHYL SULFONE;
1,1'-Sulphonylbisethane;
diethylsulfone;
ethylsulfonylethane;
DIETHYL SULPHONE
精确分子量/精确质量:
122.04000
极性分子表面积/PSA:
42.52000
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:
MFCD00007569
EINECS:
209-898-0
PubChem:
24854559
BRN:
1743753
InChI:
The Key: MBDUIEKYVPVZJH-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


用途:用于有机物合成

用途简介


用途


用途:

用于有机物合成

 

物化性质展开↓

外观与性状:
白色至略黄色结晶粉末
密度:
1.357
熔点:
73-74 °C(lit.)
沸点:
246 °C755 mm Hg(lit.)
闪点:
246°C
折射率:
1.422
其它信息:

物性数据:
1.         熔点():70-73

2.         沸点(ºC,750 mmHg):246

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25

合成路线查看所有的合成路线

  • 352-93-2

    乙硫醚

  • ~97%

  • 597-35-3

    二乙基砜

  • 70-29-1

    乙亚磺酰乙烷

  • ~90%

  • 597-35-3

    二乙基砜

  • 1889-59-4

    乙基乙烯基砜

  • ~59%

  • 597-35-3

    二乙基砜

化学图谱

  1. 二乙基砜红外图谱(IR1)

  2. 二乙基砜红外图谱(IR2)

  3. 二乙基砜质谱(MS)

上一页 1/4 下一页

MSDS 展开↓

Name: Ethyl sulfone 99+% Material Safety Data Sheet
Synonym: Diethyl sulphon
CAS: 597-35-3
Section 1 - Chemical Product   MSDS Name:Ethyl sulfone 99+% Material Safety Data Sheet
Synonym:Diethyl sulphon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
597-35-3 Ethyl sulfone 99+ 209-898-0
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:
No information found.

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. 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.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. 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:
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# 597-35-3: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: very slightly yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 246 deg C @ 755.00mm Hg
Freezing/Melting Point: 73.00 - 74.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C4H10O2S
Molecular Weight: 122.18

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 597-35-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl sulfone - 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# 597-35-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 597-35-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 597-35-3 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


 

五、分子性质数据:

1   摩尔折射率:29.37

2   摩尔体积(m3/mol):115.5

3   等张比容(90.2K):274.4

4   表面张力(dyne/cm):31.7

5 极化率(10-24cm3):11.64

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:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积42.5

7.重原子数量:7

8.表面电荷:0

9.复杂度:107

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

上下游相关产品

上游产品

更多
  • 352-93-2

    乙硫醚

  • 1889-59-4

    乙基乙烯基砜

  • 77-77-0

    二乙烯基砜

  • 70-29-1

    乙亚磺酰乙烷

  • 127-17-3

    丙酮酸

下游产品

更多
  • 583-19-7

    1-溴-2-乙氧基苯

  • 7791-25-5

    磺酰氯

  • 67-72-1

    六氯乙烷

  • 25027-40-1

    1-氯-2-(乙基磺酰基)乙烷

  • 54509-73-8

    CAS号:54509-73-8

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便