二苯基硫代乙酰胺

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

二苯基硫代乙酰胺 基本信息

中文名称:
二苯基硫代乙酰胺 
中文别名:
二苯基硫代乙酰胺 
英文名称:
Benzeneethanethioamide,a-phenyl-
英文别名:
2,2-diphenylethanethioamide;
Benzhydrylthioamide;
Acetamide,2,2-diphenylthio;
2,2-DIMETHYL-5-TRIFLUOROACETYL-1,3-DIOXANE-4,6-DIONE;
DIPHENYL-THIOACETAMIDE;
2,2-Diphenylthioacetamid;
Diphenyl-thioessigsaeure-amid;
Diphenylthioacetamide;
diphenyl-thioacetic acid amide;
Diphenyl-thioacetamid;
2,2-Diphenylthioacetamide 
CAS No.:
17518-50-2
分 子 式:
C14H13NS
分 子 量:
227.33
精确分子量:
227.07700
PSA:
58.11000
MDL:
MFCD01670747
InChI:
The Key: QMAWTTMRRXVHNI-UHFFFAOYSA-N
风险术语:
R22
分子结构式:
SDS:
查看

二苯基硫代乙酰胺 物化性质

密度:
1.167g/cm3
熔点:
143-146ºC
沸点:
382.7ºC at 760mmHg
闪点:
185.2ºC
折射率:
1.649
蒸汽压:
4.65E-06mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

 

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):143-146

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

二苯基硫代乙酰胺 安全信息

危险类别码:
R22
危险标志:
Xn: Harmful;

二苯基硫代乙酰胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB8286000
CHEMICAL NAME :
Acetamide, 2,2-diphenylthio-
CAS REGISTRY NUMBER :
17518-50-2
BEILSTEIN REFERENCE NO. :
2329441
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H13-N-S
MOLECULAR WEIGHT :
227.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,244,1971
生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

二苯基硫代乙酰胺 MSDS

Name: Diphenylthioacetamide 97% Material Safety Data Sheet
Synonym:
CAS: 17518-50-2
Section 1 - Chemical Product   MSDS Name:Diphenylthioacetamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17518-50-2 Diphenylthioacetamide 97% unlisted
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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.
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:
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. Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17518-50-2: Personal Protective Equipment Eyes: Not available.
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: Solid or liquid
Color: Not available.
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: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H13NS
Molecular Weight: 227.33

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17518-50-2: AB8286000 LD50/LC50:
CAS# 17518-50-2: Oral, mouse: LD50 = >1 gm/kg.
Carcinogenicity:
Diphenylthioacetamide - 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
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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 17518-50-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17518-50-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17518-50-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二苯基硫代乙酰胺 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:71.02

2   摩尔体积m3/mol):194.7

3   等张比容90.2K):532.3

4   表面张力3.0 dyne/cm):55.8

5   极化率0.5 10-24cm3):28.15

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: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:3

6.拓扑分子极性表面积58.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:209

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

二苯基硫代乙酰胺 上游产品

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