1H-Pyrrole-2-carbonylchloride, 1-methyl-
- 中文别名：1-甲基吡咯-2-羰酰氯
- 中文释义：1-甲基-1H-吡咯-2-羰酰氯;1-甲基吡咯-2-羰酰氯
- 英文别名：1-METHYLPYRROLE-2-CARBONYL CHLORIDE;
1-methylpyrrol-2-carboxylic acid chloride;
1-methyl-pyrrole-2-carboxylic acid chloride;
N-methylpyrrole-2-carbonyl chloride;
1-methyl-2-pyrrole-carbonyl chloride;
1-methy-1H-pyrrole-2-carbonyl chloride;
1-methyl-2-pyrrolecarboxylic acid chloride;
1-methyl-1H-pyrrole-2-carbonyl chloride
- CAS No.：26214-68-6
- 分子式：
C6H6ClNO
- 分子量：143.57
- 精确分子量：143.01400
- PSA：22.00000
- MDL：MFCD02094021
- InChI：InChI=1/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
- 分子结构式：
物化性质
- 密度：
- 1.22g/cm3
- 沸点：
- 78ºC (15 mmHg)
- 闪点：
- 79ºC
- 折射率：
- 1.544
- 蒸汽压：
- 0.231mmHg at 25°C
- 存储条件/存储方法：
干性的保护气体下处置，
保持贮藏器密封
放入紧密的贮藏器内，储存在阴凉，干燥的地方- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物，水分/潮湿，碱，热
- 其它信息：
1. 性状： 未确定
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）：未确定
5. 沸点（ºC,常压）：78
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：72-74
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
- 密度：
- 1.22g/cm3
- 沸点：
- 78ºC (15 mmHg)
- 闪点：
- 79ºC
- 折射率：
- 1.544
- 蒸汽压：
- 0.231mmHg at 25°C
- 存储条件/存储方法：
干性的保护气体下处置，
保持贮藏器密封
放入紧密的贮藏器内，储存在阴凉，干燥的地方- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物，水分/潮湿，碱，热
- 其它信息：
1. 性状： 未确定
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）：未确定
5. 沸点（ºC,常压）：78
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：72-74
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
毒理性
- 生态数据：
对水是稍微危害的，若无政府许可，勿将材料排入周围环境
MSDS
| Name: | 1-Methyl-1H-pyrrole-2-carbonyl chloride 97% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 26214-68-6 |
Section 1 - Chemical Product MSDS Name:1-Methyl-1H-pyrrole-2-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 26214-68-6 | 1-Methyl-1H-pyrrole-2-carbonyl chlorid | 97% | 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 an inert atmosphere.
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# 26214-68-6: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 84 deg C @15mmHg
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: C6H6ClNO
Molecular Weight: 143.57
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26214-68-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-1H-pyrrole-2-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# 26214-68-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26214-68-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26214-68-6 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：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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：36.86
2、 摩尔体积（m3/mol）：116.8
3、 等张比容（90.2K）：292.3
4、 表面张力（dyne/cm）：39.1
5、 极化率（10-24cm3）：14.61
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:0
3.氢键受体数量:1
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积22
7.重原子数量:9
8.表面电荷:0
9.复杂度:126
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
