2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺

2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺 基本信息
CAS号 66356-53-4 分子式 C10H18N2OS
分子量 214.32800 精确质量  214.11400
PSA  67.70000 LogP  2.23340

基本信息 展开↓

CAS号:
66356-53-4
3D弹球模型:
立即前往扯扯看
分子式:
C10H18N2OS
分子量:
214.32800
中文名称:
2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺
英文名称:
Ranitidine Impurity B
中文别名:
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
精确分子量/精确质量:
214.11400
极性分子表面积/PSA:
67.70000
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:
MFCD00277202
EINECS:
266-330-4
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

生产制备方法及用途展开↓

制备方法


雷尼替丁中间体。

用途简介


用途


雷尼替丁中间体。

物化性质展开↓

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。

安全信息展开↓

海关代码:
2932190090
危险类别码:
R34
安全说明:
S26-S36/37/39-S45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive

合成路线查看所有的合成路线

  • 79589-16-5

    5-[[(2-acetamidoethyl)thio]methyl]-N,N-dimethyl-2-furanmethanamine

  • ~94%

  • 66356-53-4

    2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺

  • 15433-79-1

    5-(二甲氨基)甲基-2-呋喃甲醇

  • +

  • 156-57-0

    半胱胺盐酸盐

  • ~70%

  • 66356-53-4

    2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺

  • 870-24-6

    2-氯乙胺盐酸盐

  • +

  • 134935-66-3

    134935-66-3

  • ~66%

  • 66356-53-4

    2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺

MSDS 展开↓

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

海关数据查看详细

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展开↓

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

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    5-(二甲氨基)甲基-2-呋喃甲醇

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  • 79589-16-5

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