丁氧羰基-1-氨基-1-环乙烷 羧酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

丁氧羰基-1-氨基-1-环乙烷 羧酸 基本信息

中文名称:
丁氧羰基-1-氨基-1-环乙烷 羧酸 
中文别名:
1-(N-叔丁氧羰基氨基)环己烷甲酸;
1-(Boc-氨基)环己羧酸;
丁氧羰基-1-氨基-1-环乙烷羧酸;
1-叔丁氧羰酰胺环己羧酸;
1-(Boc-氨基)环己甲酸;
1-(BOC-氨基)环己甲酸;
1-叔丁氧基羰基氨基环己烷羧酸;
1-叔丁氧羰酰胺环己羧酸/1-(BOC-氨基)环己甲酸 
英文名称:
Cyclohexanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
英文别名:
1-(Boc-amino)cyclohexanecarboxylic Acid;
Boc-1-aminocyclohexane-1-carboxylic acid;
1-(Boc-amino)cyclohexanecarboxylic acid 
CAS No.:
115951-16-1
分 子 式:
C12H21NO4
分 子 量:
243.31
精确分子量:
243.14700
PSA:
75.63000
MDL:
MFCD00273427
BRN:
4189683
InChI:
InChI=1/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
分子结构式:
SDS:
查看

丁氧羰基-1-氨基-1-环乙烷 羧酸 物化性质

密度:
1.13g/cm3
熔点:
176-178 °C (dec.)
沸点:
391.2ºC at 760mmHg
闪点:
190.4ºC
折射率:
1.496
蒸汽压:
3.3E-07mmHg at 25°C
存储条件/存储方法:

密封,在0ºC保存

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

其它信息:

1.        性状:白色粉末

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):176-178

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

丁氧羰基-1-氨基-1-环乙烷 羧酸 安全信息

海关代码:
2924299090
WGK_Germany:
3
德国有关水污染物质的分类清单

丁氧羰基-1-氨基-1-环乙烷 羧酸 MSDS

Name: 1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid Material Safety Data Sheet
Synonym: N-tert-Butylcarbonylaminocyclohexanecarboxylic acid
CAS: 115951-16-1
Section 1 - Chemical Product   MSDS Name:1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid Material Safety Data Sheet
Synonym:N-tert-Butylcarbonylaminocyclohexanecarboxylic acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
115951-16-1 1-(tert-Butylcarbonyl)aminocyclohexane >97 unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. 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# 115951-16-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 176.50-177.50 deg C
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: C12H21NO4
Molecular Weight: 243.3

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, amines, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 115951-16-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 22 Do not breathe dust.
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.
WGK (Water Danger/Protection)
CAS# 115951-16-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 115951-16-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 115951-16-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

丁氧羰基-1-氨基-1-环乙烷 羧酸 海关数据

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

丁氧羰基-1-氨基-1-环乙烷 羧酸 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:62.73

2、摩尔体积(cm3/mol):214.5

3、等张比容(90.2K):549.6

4、表面张力(dyne/cm):43

5、介电常数:无可用的

6、极化率(10-24cm3):24.87

7、单一同位素质量:243.147058 Da

8、标称质量:243 Da

9、平均质量:243.2994 Da

计算化学数据

1.疏水参数计算参考值(XlogP):2.1

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积75.6

7.重原子数量:17

8.表面电荷:0

9.复杂度:300

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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