5-(N,N-二苄基氨基乙酰)水杨酰胺

  • 基本信息
  • 制备方法及用途
  • 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

5-(N,N-二苄基氨基乙酰)水杨酰胺 基本信息

中文名称:
5-(N,N-二苄基氨基乙酰)水杨酰胺 
中文别名:
5-(N,N-二苄基氨基乙酰)水杨酰胺;
5-N,N-二苄胺乙酰水杨酰胺 
英文名称:
Benzamide,5-[2-[bis(phenylmethyl)amino]acetyl]-2-hydroxy-
英文别名:
5-[2-(dibenzylamino)acetyl]-2-hydroxybenzamide;
EINECS 250-244-9 
CAS No.:
30566-92-8
分 子 式:
C23H22N2O3
分 子 量:
374.43
精确分子量:
431.18500
PSA:
112.73000
MDL:
MFCD02181096
EINECS:
250-244-9
InChI:
InChI=1/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)/p+1
安全术语:
S24/25
分子结构式:
SDS:
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5-(N,N-二苄基氨基乙酰)水杨酰胺 制备方法及用途

制备方法

用作心血管药物拉贝诺尔(柳胺苄心定)的中间体

用途简介

用途

用作心血管药物拉贝诺尔(柳胺苄心定)的中间体

5-(N,N-二苄基氨基乙酰)水杨酰胺 物化性质

外观与性状:
淡米色粉末
密度:
1.249g/cm3
熔点:
168ºC
沸点:
570.3ºC at 760mmHg
闪点:
298.7ºC
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):168

5.       沸点(ºC,常压):无可用

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

5-(N,N-二苄基氨基乙酰)水杨酰胺 安全信息

海关代码:
2924299090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

5-(N,N-二苄基氨基乙酰)水杨酰胺 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。

5-(N,N-二苄基氨基乙酰)水杨酰胺 MSDS

Name: 5-(N N-Dibenzylglycyl)salicylamide 98% Material Safety Data Sheet
Synonym: None Known
CAS: 30566-92-8
Section 1 - Chemical Product   MSDS Name:5-(N N-Dibenzylglycyl)salicylamide 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
30566-92-8 5-(N,N-Dibenzylglycyl)salicylamide 98% 250-244-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
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# 30566-92-8: 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 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: Powder
Color: light beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168 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: C23H22N2O3
Molecular Weight: 374.44

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, acid anhydrides, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 30566-92-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(N,N-Dibenzylglycyl)salicylamide - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 30566-92-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 30566-92-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 30566-92-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-(N,N-二苄基氨基乙酰)水杨酰胺 海关数据

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

5-(N,N-二苄基氨基乙酰)水杨酰胺 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:121.94

2   摩尔体积m3/mol338.7

3   等张比容(90.2K):944.0

4   表面张力dyne/cm60.3

5   极化率10-24cm348.34

计算化学数据

1.疏水参数计算参考值(XlogP):3.7

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:8

5.互变异构体数量:20

6.拓扑分子极性表面积83.6

7.重原子数量:28

8.表面电荷:0

9.复杂度:492

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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