3-(2,6-二氯苯氧基)-1-丙炔

  • 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

3-(2,6-二氯苯氧基)-1-丙炔 基本信息

中文名称:
3-(2,6-二氯苯氧基)-1-丙炔 
中文别名:
3-(2,6-二氯苯氧基)-1-丙炔;
3-(2,6-二氯苯氧基)-1-丙炔,97% 
英文名称:
Benzene,1,3-dichloro-2-(2-propyn-1-yloxy)-
英文别名:
1,3-dichloro-2-prop-2-ynoxybenzene;
3-(2,6-Dichlorophenoxy)-1-propyne;
(2,6-Dichlorphenyl)-propargylether;
1,3-dichloro-2-prop-2-ynyloxybenzene;
HMS549L19 
CAS No.:
3598-66-1
分 子 式:
C9H6Cl2O
分 子 量:
201.05
精确分子量:
199.98000
PSA:
9.23000
MDL:
MFCD00052717
EINECS:
000-000-0
BRN:
2091839
InChI:
The Key: HCGOBPUSIBTNRV-UHFFFAOYSA-N
风险术语:
36
安全术语:
S22; S24/25;
分子结构式:
SDS:
查看

3-(2,6-二氯苯氧基)-1-丙炔 物化性质

密度:
1.304g/cm3
熔点:
42ºC
沸点:
272.9ºC at 760mmHg
闪点:
114.1ºC
折射率:
1.559
存储条件/存储方法:

避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:不确定

2.       密度dg/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点mpºC):40-42                                         

5.       沸点(ºC,常压):不确定                                                     

6.       沸点bpºC,24mm):不确定

7.       折射率:不确定

8.       闪点fpºC):不确定              

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

3-(2,6-二氯苯氧基)-1-丙炔 安全信息

海关代码:
2909309090
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

3-(2,6-二氯苯氧基)-1-丙炔 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

3-(2,6-二氯苯氧基)-1-丙炔 MSDS

Name: 1 3-Dichloro-2-(prop-2-ynyloxy)benzene 97% Material Safety Data Sheet
Synonym: 3-(2,6-Dichlorophenoxy)prop-1-yn
CAS: 3598-66-1
Section 1 - Chemical Product   MSDS Name:1 3-Dichloro-2-(prop-2-ynyloxy)benzene 97% Material Safety Data Sheet
Synonym:3-(2,6-Dichlorophenoxy)prop-1-yn

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3598-66-1 1,3-Dichloro-2-(prop-2-ynyloxy)benzene 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.
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:
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# 3598-66-1: 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: white - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 42 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: C9H6Cl2O
Molecular Weight: 201

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3598-66-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dichloro-2-(prop-2-ynyloxy)benzene - 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# 3598-66-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3598-66-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3598-66-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(2,6-二氯苯氧基)-1-丙炔 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%

3-(2,6-二氯苯氧基)-1-丙炔 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:49.81

2、   摩尔体积(m3/mol):154.1

3、   等张比容(90.2K):394.2

4、   表面张力(dyne/cm):42.8

5、   极化率10-24cm3):19.74

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:12

8.表面电荷:0

9.复杂度:174

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

3-(2,6-二氯苯氧基)-1-丙炔 上游产品

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