2-Furanmethanamine,5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-
- 中文别名:2-[(2-氨基乙硫基)甲基]-5-[(N,N-二甲氨基)甲基]呋喃
- 中文释义:2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺;5-(((2-氨基乙基)硫代)甲基)-N,N-二甲基-2-呋喃甲胺;2[([5-[(二甲胺)甲基]-2-呋喃基]甲基)硫代]乙胺;2-[(2-氨基乙硫基)甲基]-5-[(N,N-二甲氨基)甲基]呋喃;雷尼替丁杂质B
- 英文别名:Ranitidine Impurity B;
2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine
- CAS No.:66356-53-4
- 分子式:C10H18N2OS
- 分子量:214.33
- 精确分子量:214.11400
- PSA:67.70000
- MDL:MFCD00277202
- InChI:InChI=1/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3
- 分子结构式:
物化性质
- 外观与性状:
- 淡黄色或棕色液体
- 密度:
- 1.094 g/cm3
- 熔点:
- 96-97 °C(lit.)
- 沸点:
- 292.9ºC at 760 mmHg
- 闪点:
- 130.9ºC
- 折射率:
- 1.547
- 存储条件/存储方法:
存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂,避光,室温保存。
- 稳定性相关:
远离氧化物,阳光,热,明火,高温,火花,静电电荷,其他点火源。
- 其它信息:
1. 性状:浅黄色或者棕色液体。
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):未确定
5. 沸点(ºC,常压):未确定
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:微溶于水,溶于乙醇,丙酮。
安全信息
- 外观与性状:
- 淡黄色或棕色液体
- 密度:
- 1.094 g/cm3
- 熔点:
- 96-97 °C(lit.)
- 沸点:
- 292.9ºC at 760 mmHg
- 闪点:
- 130.9ºC
- 折射率:
- 1.547
- 存储条件/存储方法:
存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂,避光,室温保存。
- 稳定性相关:
远离氧化物,阳光,热,明火,高温,火花,静电电荷,其他点火源。
- 其它信息:
1. 性状:浅黄色或者棕色液体。
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):未确定
5. 沸点(ºC,常压):未确定
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:微溶于水,溶于乙醇,丙酮。
MSDS
Name: | 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine Material Safety Data Sheet |
Synonym: | |
CAS: | 66356-53-4 |
Section 1 - Chemical Product MSDS Name:2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# | Chemical Name | content | EINECS# |
66356-53-4 | 2-[([5-[(Dimethylamino)methyl]-2-furyl | 95+% | 266-330-4 |
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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.
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# 66356-53-4: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C10H18N2OS
Molecular Weight: 214
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 66356-53-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine - 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, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
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# 66356-53-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 66356-53-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66356-53-4 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:2932190090
- 概述:
- 2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 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
- 摘要/Summary:
- 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:62.17
2、 摩尔体积(m3/mol):195.7
3、 等张比容(90.2K):499.3
4、 表面张力(dyne/cm):42.3
5、 极化率(10-24cm3):24.64
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:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积67.7
7.重原子数量:14
8.表面电荷:0
9.复杂度:155
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