5-(甲氧羰基)-2-吡啶羧酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

5-(甲氧羰基)-2-吡啶羧酸 基本信息

中文名称:
5-(甲氧羰基)-2-吡啶羧酸 
中文别名:
5-(甲氧羰基)-2-吡啶羧酸;
5-甲氧羰基-2-吡啶甲酸;
5-(甲氧羰基)-2-吡啶甲酸 
英文名称:
2,5-Pyridinedicarboxylicacid, 5-methyl ester
英文别名:
5-(Methoxycarbonyl)-2-pyridinecarboxylic acid;
5-methoxycarbonylpyridine-2-carboxylic acid;
5-(Methoxycarbonyl)Pyridine-2-Carboxylic Acid;
5-(Methoxycarbonyl)picolinic acid 
CAS No.:
17874-79-2
分 子 式:
C8H7NO4
分 子 量:
181.14
精确分子量:
181.03800
PSA:
76.49000
InChI:
InChI=1/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)/p-1
危险品标志:
IrritantXi
风险术语:
R36/37/38;R22
安全术语:
S26;S36/37/39
分子结构式:
SDS:
查看

5-(甲氧羰基)-2-吡啶羧酸 物化性质

密度:
1.361g/cm3
熔点:
187 °C
沸点:
347.9ºC at 760mmHg
闪点:
164.2ºC
蒸汽压:
1.97E-05mmHg at 25°C
其它信息:

1.      性状:不确定

2.      密度(g/mL,25/4):不确定

3.      相对蒸汽密度(g/mL,空气=1):不确定

4.      熔点(ºC):187

5.      沸点ºC,常压):不确定

6.      沸点(ºC,5.2kPa):不确定

7.      折射率:不确定

8.      闪点(ºC):不确定

9.      比旋光度(º):不确定

10.   自燃点或引燃温度(ºC):不确定

11.   蒸气压(kPa,25ºC):不确定

12.   饱和蒸气压(kPa,60ºC):不确定

13.   燃烧热(KJ/mol):不确定

14.   临界温度(ºC):不确定

15.   临界压力(KPa):不确定

16.   油水(辛醇/水)分配系数的对数值:不确定

17.   爆炸上限(%,V/V):不确定

18.   爆炸下限(%,V/V):不确定

19.   溶解性:不确定

5-(甲氧羰基)-2-吡啶羧酸 安全信息

海关代码:
2933399090
危险类别码:
R22;R36/37/38
安全说明:
S26-S36/37/39-S22
安全标志:
S22:不要吸入粉尘。
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:
Xn:Harmful;

5-(甲氧羰基)-2-吡啶羧酸 MSDS

Name: 5-(Methoxycarbonyl)pyridine-2-carboxylic acid 95+% Material Safety Data Sheet
Synonym:
CAS: 17874-79-2
Section 1 - Chemical Product   MSDS Name:5-(Methoxycarbonyl)pyridine-2-carboxylic acid 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17874-79-2 5-(Methoxycarbonyl)pyridine-2-carboxyl 95+% unlisted
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:
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# 17874-79-2: 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
Color: slight pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 187 - 189 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: C8H7NO4
Molecular Weight: 181

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17874-79-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(Methoxycarbonyl)pyridine-2-carboxylic 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
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: 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# 17874-79-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17874-79-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17874-79-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-(甲氧羰基)-2-吡啶羧酸 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%

5-(甲氧羰基)-2-吡啶羧酸 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:43.04

2、  摩尔体积(m3/mol):133.0

3、  等张比容(90.2K):368.3

4、  表面张力(dyne/cm):58.7

5、  极化率10-24cm3):17.06

计算化学数据

1.疏水参数计算参考值(XlogP):0.6

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76.5

7.重原子数量:13

8.表面电荷:0

9.复杂度:216

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

5-(甲氧羰基)-2-吡啶羧酸 上游产品

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