1-苄基哌嗪

1-苄基哌嗪 基本信息
CAS号 2759-28-6 分子式 C11H16N2
分子量 176.25800 精确质量  176.13100
PSA  15.27000 LogP  1.35850

基本信息 展开↓

CAS号:
2759-28-6
3D弹球模型:
立即前往扯扯看
分子式:
C11H16N2
分子量:
176.25800
中文名称:
1-苄基哌嗪
英文名称:
1-benzylpiperazine
中文别名:
1-苄基哌嗪;
1-苯甲基哌啶;
苄基哌嗪;
N-苄基哌嗪
英文别名:
1-benzylpiperazine;
N-Benylpiperazine;
1-Benzylpiperazine;
BENZYLPIPERAZINE;
1-benzyl-piperazine;
1-BENZYL-4-PIPERAZINE;
2-Piperidinopyrimidine;
N-phenylmethylpiperazine;
4-BENZYLPIPERAZINE;
Piperazine,1-benzyl;
N-Benzylpiperazine
精确分子量/精确质量:
176.13100
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。
EINECS:
220-423-6
InChI:
The Key: IQXXEPZFOOTTBA-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明至淡黄色液体
密度:
1.014
熔点:
17 - 20ºC
沸点:
145ºC
闪点:
>110ºC
折射率:
1.547

安全信息展开↓

包装等级:
III
风险类别:
8
海关代码:
29335995
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34
安全说明:
S26-S36/37/39-S45
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 110-85-0

    哌嗪

  • +

  • 100-44-7

    苄基氯

  • ~90%

  • 2759-28-6

    1-苄基哌嗪

  • 95558-32-0

    95558-32-0

  • ~82%

  • 2759-28-6

    1-苄基哌嗪

  • 110-85-0

    哌嗪

  • ~80%

  • 2759-28-6

    1-苄基哌嗪

MSDS 展开↓

Name: 1-Benzylpiperazine 97+% Material Safety Data Sheet
Synonym: Non
CAS: 2759-28-6
Section 1 - Chemical Product   MSDS Name:1-Benzylpiperazine 97+% Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2759-28-6 1-Benzylpiperazine 97 220-423-6
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Air sensitive.Moisture sensitive.Light sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract.
Chronic:
None

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. 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. Do NOT use mouth-to-mouth resuscitation.
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. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Store protected from light. Store protected from air. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture. Store protected from light.
Store under an inert atmosphere.

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# 2759-28-6: 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear colorless to faint yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 17-20C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0140g/cm3
Molecular Formula: C11H16N2
Molecular Weight: 176.26

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2759-28-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzylpiperazine - 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 LIQUID, BASIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3267
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3267
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3267
Packing group: II

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2759-28-6: No information available.
Canada
CAS# 2759-28-6 is listed on Canada's NDSL List.
CAS# 2759-28-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2759-28-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:1

3.氢键受体数量:2

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:13

8.表面电荷:0

9.复杂度:135

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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