4-Pyridinecarbonylchloride, 2-chloro-6-methoxy-
- 中文别名:2-氯-6-甲氧基吡啶-4-甲酰氯
- 中文释义:2-氯-6-甲氧基异烟酰氯;2-氯-6-甲氧基吡啶-4-甲酰氯
- 英文别名:2-Chloro-6-methoxyisonicotinoyl chloride;
2-Chloro-6-methoxypyridine-4-carbonyl chloride;
2-chloro-6-methoxypyridine-4-carbonyl chloride
- CAS No.:116853-97-5
- 分子式:C7H5Cl2NO2
- 分子量:206.03
- 精确分子量:204.97000
- PSA:39.19000
- MDL:MFCD00125355
- InChI:InChI=1/C7H5Cl2NO2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3
- 分子结构式:
物化性质
- 密度:
- 1.42g/cm3
- 熔点:
- 60°C
- 沸点:
- 60°C 0,07mm
- 闪点:
- 79°C/0.2mm
- 折射率:
- 1.5560
- 蒸汽压:
- 0.0041mmHg 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、水分等
- 其它信息:
1. 性状:液体
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):未确定
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
- 密度:
- 1.42g/cm3
- 熔点:
- 60°C
- 沸点:
- 60°C 0,07mm
- 闪点:
- 79°C/0.2mm
- 折射率:
- 1.5560
- 蒸汽压:
- 0.0041mmHg 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、水分等
- 其它信息:
1. 性状:液体
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):未确定
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
毒理性
- 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
Name: | 2-Chloro-6-methoxypyridine-4-carbonyl chloride 95+% Material Safety Data Sheet |
Synonym: | |
CAS: | 116853-97-5 |
Section 1 - Chemical Product MSDS Name:2-Chloro-6-methoxypyridine-4-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# | Chemical Name | content | EINECS# |
116853-97-5 | 2-Chloro-6-methoxypyridine-4-carbonyl | 95+% | unlisted |
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.
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.
Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.
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# 116853-97-5: 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: Liquid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 63 - 64 deg C @0.01mmHg
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: C7H5Cl2NO2
Molecular Weight: 206
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 116853-97-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-methoxypyridine-4-carbonyl chloride - 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
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 116853-97-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 116853-97-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 116853-97-5 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
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
分子结构数据
1、摩尔折射率:46.16
2、摩尔体积(cm3/mol):145
3、等张比容(90.2K):377.7
4、表面张力(dyne/cm):46
5、介电常数:无可用的
6、极化率(10-24cm3):18.3
7、单一同位素质量:204.969734 Da
8、标称质量:205 Da
9、平均质量:206.0261 Da
计算化学数据
1.疏水参数计算参考值(XlogP):2.6
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积39.2
7.重原子数量:12
8.表面电荷:0
9.复杂度:177
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