(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 基本信息

中文名称:
(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 
中文别名:
(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 
英文名称:
Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenyl-, (1R,2S)-
英文别名:
(1R,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate;
(1S,2R)-1-(tert-butoxycarbonylamino)-2-phenylcyclopropanecarboxylic acid 
CAS No.:
244205-60-5
分 子 式:
C15H19NO4
分 子 量:
277.32
精确分子量:
277.13100
PSA:
79.12000
MDL:
MFCD03095634
InChI:
The Key: VMOVYASDUSWBOL-XHDPSFHLSA-N
风险术语:
36/37/38
分子结构式:
SDS:
查看

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 物化性质

密度:
1.22g/cm3
熔点:
90-91ºC
沸点:
450.3ºC at 760mmHg
闪点:
226.1ºC
蒸汽压:
6.78E-09mmHg at 25°C
存储条件/存储方法:

 

密闭于4 ºC阴凉干燥环境中

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:白色固体

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):90-91

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

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:无可用

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 安全信息

危险类别码:
36/37/38
安全说明:
S24/25
危险标志:
Xi: Irritant;

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 毒理性

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。

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 MSDS

Name: (1r 2s)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid Material Safety Data Sheet
Synonym: None Known
CAS: 244205-60-5
Section 1 - Chemical Product   MSDS Name:(1r 2s)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
244205-60-5 (1R,2S)-N-BOC-1-Amino-2-phenylcyclopro unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
Non-irritating to the skin. May be harmful if absorbed through the skin.
Ingestion:
May be harmful if swallowed.
Inhalation:
May be harmful if inhaled.
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.
Ingestion:
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.
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 water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 244205-60-5: 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:
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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90 - 91 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: C15H19NO4
Molecular Weight: 277.32

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 244205-60-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1R,2S)-N-BOC-1-Amino-2-phenylcyclopropanecarboxylic 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
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 244205-60-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 244205-60-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 244205-60-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(1R,2S)-N-BOC-1-氨基-2-苯基环丙烷羧酸 分子结构与计算化学数据

分子结构数据

1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据

1、   疏水参数计算参考值(XlogP):2.9

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:4

5、   拓扑分子极性表面积(TPSA):78.5

6、   重原子数量:20

7、   表面电荷:-1

8、   复杂度:390

9、   同位素原子数量:0

10、   确定原子立构中心数量:2

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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