1-4-氟苄基哌嗪

1-4-氟苄基哌嗪 基本信息
CAS号 70931-28-1 分子式 C11H15FN2
分子量 194.24900 精确质量 　194.12200
PSA 　15.27000 LogP 　1.49760
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
70931-28-1
3D弹球模型：
立即前往扯扯看
分子式：
C11H15FN2
分子量：
194.24900
中文名称：
1-4-氟苄基哌嗪
英文名称：
1-(4-Fluorobenzyl)piperazine
中文别名：
1-4-氟苄基哌嗪;
1-(4-氟苄基)哌嗪
英文别名：
1-(4-Fluorobenzyl)piperazine;
1-[(4-fluorophenyl)methyl]piperazine
精确分子量/精确质量：
194.12200
极性分子表面积/PSA：
15.27000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD01075234
PubChem：
24883437
InChI：
InChI=1/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2/p+2

物化性质展开↓

外观与性状：
透明黄色液体在熔点后
密度：
1.103 g/cm3
熔点：
64 °C
沸点：
112-114°C 2mm
闪点：
121.7ºC
折射率：
1.5255-1.5275
存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）： 64

5.       沸点（ºC,常压）：112-114

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

海关代码：
2933599090
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R22
安全说明：
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志：
Xn: Harmful;Xi: Irritant;

合成路线查看所有的合成路线

  • 77278-77-4

    4-[(4-氟苯基)甲基]]-1,1-哌嗪羧酸-1,1-二甲基乙酯

  • →

    ~98%

  • 70931-28-1

    1-4-氟苄基哌嗪

  • 110-85-0

    哌嗪

  • +

  • 352-11-4

    4-氟氯苄

  • →

    ~88%

  • 70931-28-1

    1-4-氟苄基哌嗪

  • 70931-32-7

    1-ethoxycarbonyl-4-(4-fluorobenzyl)piperazine

  • →

    ~74%

  • 70931-28-1

    1-4-氟苄基哌嗪

毒理性展开↓

生态数据：

 

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 1-(4-Fluorobenzyl)piperazine 98% Material Safety Data Sheet
Synonym:
CAS: 70931-28-1
Section 1 - Chemical Product   MSDS Name:1-(4-Fluorobenzyl)piperazine 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
70931-28-1 1-(4-Fluorobenzyl)piperazine 98% unlisted
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.
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# 70931-28-1: 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: Liquid
Color: clear yellow
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: C11H15FN2
Molecular Weight: 194.25
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 70931-28-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Fluorobenzyl)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
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3263
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 70931-28-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70931-28-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70931-28-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：54.52

2、   摩尔体积（m3/mol）：176.0

3、   等张比容（90.2K）：436.4

4、   表面张力（dyne/cm）：37.7

5、   极化率（10-24cm3）：21.61

计算化学数据

1.疏水参数计算参考值（XlogP）:1.2

2.氢键供体数量:1

3.氢键受体数量:3

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15.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:161

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

上下游相关产品

上游产品

更多

  • 77278-77-4

    4-[(4-氟苯基)甲基]]-1,1-哌嗪羧酸-1,1-二甲基乙酯

  • 110-85-0

    哌嗪

  • 352-11-4

    4-氟氯苄

  • 75-09-2

    二氯甲烷

  • 70931-32-7

    1-ethoxycarbonyl-4-(4-fluorobenzyl)piperazine

下游产品

更多

  • 77795-68-7

    1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-fluorophenyl)methyl]piperazine

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