2-Thioxotetrahydro-1,3-oxazole

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

2-Thioxotetrahydro-1,3-oxazole 基本信息

中文名称:
2-Thioxotetrahydro-1,3-oxazole 
中文别名:
2-硫代四氢-1,3-恶唑;
2-三氧代四氢-1,3-噁唑;
2-恶唑烷硫酮 
英文名称:
2-Oxazolidinethione
英文别名:
2-Thioxotetrahydro-1,3-Oxazole;
2-THIOXOTETRAHYDRO-1,3-OXAZOLE 
CAS No.:
5840-81-3
分 子 式:
C3H5NOS
分 子 量:
103.14
精确分子量:
103.00900
PSA:
53.35000
MDL:
MFCD00125763
InChI:
The Key: UMURLIQHQSKULR-UHFFFAOYSA-N
安全术语:
S24/25
分子结构式:
SDS:
查看

2-Thioxotetrahydro-1,3-oxazole 物化性质

外观与性状:
白色至略米色结晶粉末
密度:
1.31 g/cm3
熔点:
97-99ºC
沸点:
120.7ºC at 760 mmHg
闪点:
26.8ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度4ºC

稳定性相关:

常温常压下稳定,避免与湿空气,水接触。

其它信息:

1.      性状:白色或浅米色结晶性粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):85-91

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,0.07mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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

2-Thioxotetrahydro-1,3-oxazole 安全信息

安全说明:
S24/25

2-Thioxotetrahydro-1,3-oxazole MSDS

Name: 2-Thioxotetrahydro-1 3-oxazole 98% Material Safety Data Sheet
Synonym: None Known
CAS: 5840-81-3
Section 1 - Chemical Product   MSDS Name:2-Thioxotetrahydro-1 3-oxazole 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5840-81-3 2-Thioxotetrahydro-1,3-oxazole 98% unlisted
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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
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:
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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.)

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# 5840-81-3: 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:
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: Crystalline powder
Color: white - slightly beige
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: C3H5NOS
Molecular Weight: 103.13

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5840-81-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Thioxotetrahydro-1,3-oxazole - 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# 5840-81-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5840-81-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5840-81-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-Thioxotetrahydro-1,3-oxazole 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):0.3

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积53.4

7.重原子数量:6

8.表面电荷:0

9.复杂度:73.2

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

2-Thioxotetrahydro-1,3-oxazole 上游产品

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山东西亚化学有限公司

产品介绍:
产品名称:2-巯基四氢-1,3-噁唑 Cas号:5840-81-3 纯度:97% 包装信息:250mg 价格:865.0元
联系方式:
联系人:崔 电话:4009903999 手机:18053972095

山东默派生物科技有限公司

产品介绍:
产品名称:2-硫代四氢-1,3-恶唑 Cas号:5840-81-3 纯度:99% 包装信息:100kg 价格:100.0元
联系方式:
联系人:张经理 电话:13070690626 手机:13070690626