1-乙炔基-2-硝基苯

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

1-乙炔基-2-硝基苯 基本信息

中文名称:
1-乙炔基-2-硝基苯 
中文别名:
1-乙炔基-2-硝基苯;
1-乙炔-2-硝基苯;
2-硝基苯乙炔 
英文名称:
Benzene,1-ethynyl-2-nitro-
英文别名:
1-ethynyl-2-nitrobenzene;
o-nitrophenylacetylene;
Benzene,1-ethynyl-2-nitro;
2-Nitrophenylacetylene;
1-ethynyl-2-nitro-benzene;
2-ethynyl-1-nitrobenzene;
2-nitro-1-ethynylbenzene;
AmbscL34/TU-R008 
CAS No.:
16433-96-8
分 子 式:
C8H5NO2
分 子 量:
147.13
精确分子量:
147.03200
PSA:
45.82000
MDL:
MFCD01113917
InChI:
InChI=1/C8H5NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H
分子结构式:
SDS:
查看

1-乙炔基-2-硝基苯 物化性质

密度:
1.22g/cm3
熔点:
82-85ºC(lit.)
沸点:
247.5ºC at 760 mmHg
闪点:
113.2°C
折射率:
1.579
蒸汽压:
0.0403mmHg at 25°C
存储条件/存储方法:

密闭、阴凉、干燥处

稳定性相关:

按规定使用不会分解,避氧化剂

其它信息:

1.       性状:固体

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):82-85

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,15mmHg):未确定

7.       折射率: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(20ºC):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

1-乙炔基-2-硝基苯 安全信息

海关代码:
2904209090
WGK_Germany:
3
德国有关水污染物质的分类清单

1-乙炔基-2-硝基苯 MSDS

Name: 2-Nitrophenylacetylene 97% Material Safety Data Sheet
Synonym: None Known
CAS: 16433-96-8
Section 1 - Chemical Product   MSDS Name:2-Nitrophenylacetylene 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16433-96-8 2-Nitrophenylacetylene 97% 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: 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.
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 chemical foam. Use agent most appropriate to extinguish fire.

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. 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# 16433-96-8: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81-82 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:
Specific Gravity/Density:
Molecular Formula: C8H5NO2
Molecular Weight: 147.0405

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at normal temperatures in tightly closed containers under an inert atmosphere.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16433-96-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Nitrophenylacetylene - 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# 16433-96-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16433-96-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16433-96-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-乙炔基-2-硝基苯 海关数据

中国海关编码:2904209090

概述:
2904209090 其他仅含硝基或亚硝基的衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

1-乙炔基-2-硝基苯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:39.84

2、   摩尔体积(cm3/mol):119.7

3、   等张比容(90.2K):320.2

4、   表面张力(dyne/cm):51.1

5、   极化率:15.79

6、   介电常数:未确定

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积45.8

7.重原子数量:11

8.表面电荷:0

9.复杂度:198

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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