2-阿氨基乙醇酯

2-阿氨基乙醇酯 基本信息
CAS号 2937-53-3 分子式 C2H7NO3S2
分子量 157.21200 精确质量 　156.98700
PSA 　114.07000 LogP 　1.26220
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2937-53-3
3D弹球模型：
立即前往扯扯看
分子式：
C2H7NO3S2
分子量：
157.21200
中文名称：
2-阿氨基乙醇酯
英文名称：
1-amino-2-sulfosulfanylethane
中文别名：
2-阿氨基乙醇酯;
S-(2-氨乙基)硫磺酸
英文别名：
1-amino-2-sulfosulfanylethane;
Cysteamine S-sulfate;
2-Aminoethanethiosulphonic acid;
USAF EK-8413;
2-aminoethanethiol sulfuric acid;
Cysteamine,S-sulfo;
2-Aminoethanethiosulfuric acid;
2-Aminoethylthiosulfuric acid;
2-Mercaptoethylamine thiosulfate;
Cysteamine sulfonic acid;
1-Amino-2-sulfomercapto-aethan
精确分子量/精确质量：
156.98700
极性分子表面积/PSA：
114.07000
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。
EINECS：
220-917-1
InChI：
InChI=1/C2H7NO3S2/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)/p+1

生产制备方法及用途展开↓

制备方法

用于有机合成。

用途简介

用途

用于有机合成。

物化性质展开↓

密度：
1.608g/cm3
熔点：
191-194ºC
存储条件/存储方法：
库房通风低温干燥
稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无色液体

2.       密度（g/mL,25/4℃）：1.134

3.       相对蒸汽密度（g/mL,空气=1）：4.2

4.       熔点（ºC）：106

5.       沸点（ºC,常压）：109

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.442

8.       闪点（ºC）：31

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：不溶于水，溶于醚、苯、氯仿。

 

安全信息展开↓

海关代码：
2930909090
安全说明：
S24/25

合成路线查看所有的合成路线

  • 870-24-6

    2-氯乙胺盐酸盐

  • →

    ~77%

  • 2937-53-3

    2-阿氨基乙醇酯

  • 151-56-4

    乙烯亚胺

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  • 2937-53-3

    2-阿氨基乙醇酯

  • 2576-47-8

    2-溴乙胺氢溴酸盐

  • →

  • 2937-53-3

    2-阿氨基乙醇酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KJ0201000
CHEMICAL NAME :
Ethanethiol, 2-amino-, hydrogen sulfate (ester)
CAS REGISTRY NUMBER :
2937-53-3
BEILSTEIN REFERENCE NO. :
1758955
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C2-H7-N-O3-S2
MOLECULAR WEIGHT :
157.22
WISWESSER LINE NOTATION :
Z2SSWQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17500 ug/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,620,1975
毒理学数据：

试验方法：吸入
摄入剂量： 1720 mg/m3/4H
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用： 1.颤抖
2.惊厥或癫痫阈值的影响
3.肺 ，胸部或呼吸-呼吸困难

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 2-Aminoethanethiolsulfuric Acid 98% (Titr.) Material Safety Data Sheet
Synonym: 2-Aminoethylthiosulfuric Acid; Cysteamine S-Sulfate; 2-Mercaptoethylamine Thiosulfate
CAS: 2937-53-3
Section 1 - Chemical Product   MSDS Name:2-Aminoethanethiolsulfuric Acid 98% (Titr.) Material Safety Data Sheet
Synonym:2-Aminoethylthiosulfuric Acid; Cysteamine S-Sulfate; 2-Mercaptoethylamine Thiosulfate
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2937-53-3 2-Aminoethanethiolsulfuric Acid 98 220-917-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 2937-53-3: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: almost white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 192 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C2H7NO3S2
Molecular Weight: 157.21
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2937-53-3: KJ0201000 LD50/LC50:
Not available.
Carcinogenicity:
2-Aminoethanethiolsulfuric Acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 2937-53-3: No information available.
Canada
CAS# 2937-53-3 is listed on Canada's NDSL List.
CAS# 2937-53-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2937-53-3 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 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:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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：33.29

2、   摩尔体积（m3/mol）：97.7

3、   等张比容（90.2K）：291.3

4、   表面张力（dyne/cm）：78.9

5、   极化率（10-24cm3）：13.19

计算化学数据

1.疏水参数计算参考值（XlogP）:-3.7

2.氢键供体数量:2

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114

7.重原子数量:8

8.表面电荷:0

9.复杂度:134

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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