2-氯吡啶氮氧化物盐酸盐

2-氯吡啶氮氧化物盐酸盐 基本信息
CAS号 20295-64-1 分子式 C5H5Cl2NO
分子量 166.00500 精确质量 　164.97500
PSA 　25.46000 LogP 　2.57050
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目录
基本信息 物化性质 安全信息 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
20295-64-1
3D弹球模型：
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分子式：
C5H5Cl2NO
分子量：
166.00500
中文名称：
2-氯吡啶氮氧化物盐酸盐
英文名称：
2-CHLOROPYRIDINE N-OXIDE HYDROCHLORIDE
中文别名：
2-氯吡啶氮氧化物盐酸盐;
2-氯吡啶-N-氧化物盐酸盐;
2-氯吡啶 N-氧化物盐酸盐
英文别名：
2-CHLOROPYRIDINE N-OXIDE HYDROCHLORIDE;
N-OXY-2-CHLOROPYRIDINE HYDROCHLORIDE;
6-chloro-2,3-dihydropyridin-3-one hydrochloride;
chloride 2-chloropyridinium 1-oxide;
2-CHLOROPYRIDINE N-OXIDE HCL;
2-chloropyridine 1-oxide hidrochloride;
2-Chloropyridinium chloride 1-oxide;
2-CHLOROPYRIDINE-N-OXIDE HYDROCHLORIDE;
2-chloro-pyridine-1-oxide,hydrochloride;
3-Chloropyridine N-oxide hydrochloride;
2-Chloropyridine 1-oxide hydrochloride
精确分子量/精确质量：
164.97500
极性分子表面积/PSA：
25.46000
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：
MFCD00007913
EINECS：
243-712-9
PubChem：
24851229
InChI：
InChI=1/C5H4ClNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H

物化性质展开↓

外观与性状：
米色粉末
密度：
1.27g/cm3
熔点：
140-142 °C(lit.)
沸点：
140-142°C
闪点：
141.3ºC
蒸汽压：
0.00113mmHg at 25°C
存储条件/存储方法：

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

避免接触强氧化制剂

其它信息：

1. 性状：略带有米色固体

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：140-142

5. 沸点（ºC,常压）：140-142

6. 沸点（ºC,5.2kPa）： 未确定

7. 折射率： 未确定

8. 闪点（ºC）： 未确定

9. 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（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

安全信息展开↓

海关代码：
2933399090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S37/39
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;

MSDS 展开↓

Name: 2-Chloropyridine-n-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:
CAS: 20295-64-1
Section 1 - Chemical Product   MSDS Name:2-Chloropyridine-n-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
20295-64-1 2-Chloropyridine-N-oxide hydrochloride 97% 243-712-9
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
No information found.
Inhalation:
Causes respiratory tract irritation.
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.
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.
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.
Exposure Limits CAS# 20295-64-1: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: slightly beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140.00 - 142.00 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: C5H4ClNO.HCl
Molecular Weight: 166.01
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 20295-64-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloropyridine-N-oxide hydrochloride - 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# 20295-64-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20295-64-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20295-64-1 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：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%

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:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积25.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:78.8

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:2

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