3,5-二氯-4-吡啶酮-1-乙酸

  • 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

3,5-二氯-4-吡啶酮-1-乙酸 基本信息

中文名称:
3,5-二氯-4-吡啶酮-1-乙酸 
中文别名:
3,5-二氯-4-吡啶酮-1-乙酸;
N,N',N''-tritosyldiethylenetriamine;
N,N,N-三(对甲苯磺酰基)二乙烯三胺;
N,N',N''-三(对甲苯磺酰)二乙撑三胺;
4,6-dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose;
acarbose;
1-Pyridin-3-yl-Ethylamine;
1-(3-Pyridyl)ethylamine;
guanosine-5'-triphosphoric acid disodium salt;
guanosine 5'-(disodium dihydrogen triphosphate);
potassium 6-methyl-1,2,3-oxathiazin-4-olate 2,2-dioxide;
Acesulfame Potassium 
英文名称:
1(4H)-Pyridineaceticacid, 3,5-dichloro-4-oxo-
英文别名:
3,5-Dichloro-4-pyridone-N-acetic acid;
2-(3,5-dichloro-4-oxopyridin-1-yl)acetic acid 
CAS No.:
56187-37-2
分 子 式:
C7H5Cl2NO3
分 子 量:
222.02
精确分子量:
220.96500
PSA:
59.30000
MDL:
MFCD02180547
EINECS:
260-040-1
InChI:
InChI=1/C7H5Cl2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)/p-1
危险品标志:
风险术语:
R36/37/38   
安全术语:
S26;S37/39
分子结构式:
SDS:
查看

3,5-二氯-4-吡啶酮-1-乙酸 制备方法及用途

制备方法

用作制取头孢西酮的中间体

用途简介

用途

用作制取头孢西酮的中间体

3,5-二氯-4-吡啶酮-1-乙酸 物化性质

外观与性状:
白色晶体
密度:
1.65 g/cm3
熔点:
259-263 °C
沸点:
364.1ºC at 760 mmHg
闪点:
174ºC
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

        
其它信息:

1.       性状:粉末

2.       密度(g/mL,15ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):259-263

5.       沸点(ºC):未确定

6.       沸点(ºC2mmHg):未确定

7.       折射率:未确定

8.       闪点(°C):未确定

9.       比旋光度(ºC):未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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:未确定

3,5-二氯-4-吡啶酮-1-乙酸 安全信息

海关代码:
2933399090
危险类别码:
R36/37/38
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;

3,5-二氯-4-吡啶酮-1-乙酸 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

3,5-二氯-4-吡啶酮-1-乙酸 MSDS

Name: 3 5-Dichloro-4-pyridone-1-acetic acid Material Safety Data Sheet
Synonym: 3,5-Dichloro-4-oxo-1(4H)-pyridineacetic aci
CAS: 56187-37-2
Section 1 - Chemical Product   MSDS Name:3 5-Dichloro-4-pyridone-1-acetic acid Material Safety Data Sheet
Synonym:3,5-Dichloro-4-oxo-1(4H)-pyridineacetic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
56187-37-2 3,5-Dichloro-4-pyridone-1-acetic acid 260-040-1
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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# 56187-37-2: 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 or liquid
Color: Not available.
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: C7H5Cl2NO3
Molecular Weight: 222.02

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 56187-37-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dichloro-4-pyridone-1-acetic acid - 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# 56187-37-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 56187-37-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 56187-37-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3,5-二氯-4-吡啶酮-1-乙酸 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,5-二氯-4-吡啶酮-1-乙酸 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):1.5

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:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):57.6

7、   重原子数量:13

8、   表面电荷:0

9、   复杂度:300

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

3,5-二氯-4-吡啶酮-1-乙酸 上游产品

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