二氟苯基哌嗪

  • 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

二氟苯基哌嗪 基本信息

中文名称:
二氟苯基哌嗪 
中文别名:
1-(2,4-二氟苯基)哌嗪;
二氟苯基哌嗪 
英文名称:
Piperazine,1-(2,4-difluorophenyl)-
英文别名:
1-(2,4-Difluorophenyl)piperazine;
4-(2,4-difluorophenyl)piperazine;
1-(2,4-difluoro-phenyl)piperazine;
N-(2,4-difluorophenyl)piperazine;
(2,4-difluorophenyl)piperazine 
CAS No.:
115761-79-0
分 子 式:
C10H12F2N2
分 子 量:
198.21
精确分子量:
198.09700
PSA:
15.27000
MDL:
MFCD00082588
BRN:
8620369
InChI:
InChI=1/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1
危险品标志:
IrritantXi
风险术语:
R23/24/25;R34
安全术语:
S26;S28;S36/37/39
分子结构式:
SDS:
查看

二氟苯基哌嗪 物化性质

外观与性状:
白色晶体或结晶粉末
密度:
1.192 g/cm3
熔点:
74-76
沸点:
100 °C (0.37505 mmHg)
闪点:
108-111°C/0.2mm
蒸汽压:
0.00175mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物、空气
其它信息:

1.       性状:白色固体

2.        密度(g/mL,20):未确定3.        相对蒸汽密度(g/mL,空气=1):未确定4.        熔点(ºC):74-765.        沸点(ºC,常压):未确定6.        沸点(ºC,0.03KPa):108-1117.        折射率:未确定8.        闪点(ºC):108-1119.        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(Pa,20ºC):未确定12.     饱和蒸气压(KPa,20ºC):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:不溶于水

二氟苯基哌嗪 安全信息

包装等级:
II
风险类别:
6.1
海关代码:
2933599090
危险类别码:
R23/24/25;R34
安全说明:
S37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi:Irritant;

二氟苯基哌嗪 毒理性

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

二氟苯基哌嗪 MSDS

Name: 1-(2 4-Difluorophenyl)piperazine 98% Material Safety Data Sheet
Synonym:
CAS: 115761-79-0
Section 1 - Chemical Product   MSDS Name:1-(2 4-Difluorophenyl)piperazine 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
115761-79-0 1-(2,4-Difluorophenyl)piperazine 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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:
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:
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# 115761-79-0: 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
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 deg C @0.5mbar
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: C10H12F2N2
Molecular Weight: 198.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 115761-79-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2,4-Difluorophenyl)piperazine - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 115761-79-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 115761-79-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 115761-79-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二氟苯基哌嗪 海关数据

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

二氟苯基哌嗪 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:49.79

2、摩尔体积(cm3/mol):166.1

3、等张比容(90.2K):403.6

4、表面张力(dyne/cm):34.8

5、介电常数:无可用的

6、极化率(10-24cm3):19.73

7、单一同位素质量:198.096855Da

8、标称质量:198Da

9、平均质量:198.2125Da

计算化学数据

1.疏水参数计算参考值(XlogP):1.6

2.氢键供体数量:1

3.氢键受体数量:4

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15.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:183

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

二氟苯基哌嗪 上游产品

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