2-(5-硝基-2-吡啶氧基)乙醇

2-(5-硝基-2-吡啶氧基)乙醇 基本信息
CAS号 143071-39-0 分子式 C7H8N2O4
分子量 184.14900 精确质量  184.04800
PSA  88.17000 LogP  0.88410

基本信息 展开↓

CAS号:
143071-39-0
3D弹球模型:
立即前往扯扯看
分子式:
C7H8N2O4
分子量:
184.14900
中文名称:
2-(5-硝基-2-吡啶氧基)乙醇
英文名称:
2-[(5-NITRO-2-PYRIDYL)OXY]ETHAN-1-OL
中文别名:
2-(5-硝基-2-吡啶氧基)乙醇;
2-[(5-硝基-2-吡啶)氧基]-1-乙醇
英文别名:
2-[(5-NITRO-2-PYRIDYL)OXY]ETHAN-1-OL;
2-(5-nitropyridin-2-yl)oxyethanol;
2-(5-Nitropyridin-2-yloxy)ethanol;
2-(5-Nitro-2-pyridyloxy)ethanol
精确分子量/精确质量:
184.04800
极性分子表面积/PSA:
88.17000
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:
MFCD00052642
EINECS:
000-000-0
BRN:
150856
InChI:
InChI=1/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2

物化性质展开↓

密度:
1.389g/cm3
熔点:
112ºC
沸点:
355.7ºC at 760mmHg
闪点:
168.9ºC
折射率:
1.574
蒸汽压:
0mmHg at 25°C
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

避免氧化物

其它信息:

1.        性状:白色或奶油色的晶体状粉末

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):112-114

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 4548-45-2

    2-氯-5-硝基吡啶

  • +

  • 107-21-1

    乙二醇

  • ~93%

  • 143071-39-0

    2-(5-硝基-2-吡啶氧基)乙醇

  • 4548-45-2

    2-氯-5-硝基吡啶

  • +

  • 7388-28-5

    monosodium salt of ethylene glycol

  • 143071-39-0

    2-(5-硝基-2-吡啶氧基)乙醇

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol 97% Material Safety Data Sheet
Synonym:
CAS: 143071-39-0
Section 1 - Chemical Product   MSDS Name:2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
143071-39-0 2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 143071-39-0: 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
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112 - 114 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: C7H8N2O4
Molecular Weight: 184

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 143071-39-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 143071-39-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 143071-39-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 143071-39-0 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↓

分子结构数据


1、摩尔折射率:43.73

2、摩尔体积(cm3/mol):132.5

3、等张比容(90.2K):370

4、表面张力(dyne/cm):60.8

5、介电常数:无可用的

6、极化率(10-24cm3):17.33

7、单一同位素质量:184.048407 Da

8、标称质量:184 Da

9、平均质量:184.1494 Da

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:5

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积88.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:170

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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  • 4548-45-2

    2-氯-5-硝基吡啶

  • 107-21-1

    乙二醇

  • 7388-28-5

    monosodium salt of ethylene glycol

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