4-甲氧基苯乙炔

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

4-甲氧基苯乙炔 基本信息

中文名称:
4-甲氧基苯乙炔 
中文别名:
4-乙炔基苯甲醚;
1-乙炔-4-甲氧基苯;
4-甲氧基苯乙炔;
1-乙炔基-4-茴香醚 
英文名称:
Benzene,1-ethynyl-4-methoxy-
英文别名:
4-Ethynylanisole;
1-ethynyl-4-methoxybenzene;
P-ETHYNYLANISOLE;
Anisylacetylene;
p-Methoxyphenylethyne;
p-methoxyphenylacetylene;
4-Ethynylmethoxybenzene;
4-ethynyl-1-methoxy-benzene 
CAS No.:
768-60-5
分 子 式:
C9H8O
分 子 量:
132.16
精确分子量:
132.05800
PSA:
9.23000
MDL:
MFCD00168815
InChI:
The Key: KBIAVTUACPKPFJ-UHFFFAOYSA-N
危险品标志:
风险术语:
R22   
安全术语:
S24/25;
分子结构式:
SDS:
查看

4-甲氧基苯乙炔 物化性质

外观与性状:
淡黄色油状
密度:
1.019 g/mL at 25 °C(lit.)
熔点:
28-29 °C(lit.)
沸点:
87-91 °C11 mm Hg(lit.)
闪点:
180 °F
折射率:
n20/D 1.563(lit.)
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方

稳定性相关:

常温常压下稳定,避免氧化剂接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):1.019 g/mL

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):28-29 °C

5.       沸点(ºC,常压):未确定

6.       沸点(ºC, 11 mm Hg):87-91 °C

7.       折射率:n20/D 1.563

8.       闪点(º F):180 °F

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(kPa,25ºC):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

4-甲氧基苯乙炔 安全信息

包装等级:
II
海关代码:
2909309090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn:Harmful;

4-甲氧基苯乙炔 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

4-甲氧基苯乙炔 MSDS

Name: 1-Eth-1-ynyl-4-methoxybenzene 97% Material Safety Data Sheet
Synonym: 4-Methoxyphenylacetylen
CAS: 768-60-5
Section 1 - Chemical Product   MSDS Name:1-Eth-1-ynyl-4-methoxybenzene 97% Material Safety Data Sheet
Synonym:4-Methoxyphenylacetylen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
768-60-5 1-Eth-1-ynyl-4-methoxybenzene 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
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.
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. Combustible solid.
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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. 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# 768-60-5: 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
Color: colorless to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 87 - 91 deg C @11mmHg
Freezing/Melting Point: 28 - 30 deg C
Autoignition Temperature: Not available.
Flash Point: 82 deg C ( 179.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.019
Molecular Formula: C9H8O
Molecular Weight: 132

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 768-60-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Eth-1-ynyl-4-methoxybenzene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 768-60-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 768-60-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 768-60-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-甲氧基苯乙炔 海关数据

中国海关编码:2909309090

概述:
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。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:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-甲氧基苯乙炔 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:40.17

2、   摩尔体积m3/mol130.0

3、   等张比容90.2K321.7

4、   表面张力dyne/cm37.4

5、   介电常数:

6、   偶极距10-24cm3

7、   极化率:15.92

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:1

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9.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:134

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

4-甲氧基苯乙炔 表征图谱

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