161671-34-7

161671-34-7结构式

常用中文名：(3R)-3-氨基-3-苯基丙酸叔丁酯
常用英文名：tert-Butyl (3R)-3-amino-3-phenylpropanoate
CAS号：161671-34-7
分子式：C₁₃H₁₉NO₂
分子量：221.29500
相关类别：化学试剂有机试剂酯类丁酯类化合物
发布时间：2018-11-27 20:24:38
更新时间：2024-01-04 03:26:50

中文名	(3R)-3-氨基-3-苯基丙酸叔丁酯
英文名	tert-Butyl (3R)-3-amino-3-phenylpropanoate
英文别名	MFCD00798309 tert-butyl (3r)-3-amino-3-phenylpropanoate

沸点	318.7ºC at 760mmHg
分子式	C₁₃H₁₉NO₂
分子量	221.29500
闪点	170.6ºC
精确质量	221.14200
PSA	52.32000
LogP	3.11850
外观性状	淡黄色粘性液体
蒸汽压	0.000354mmHg at 25°C
折射率	1.496-1.498
储存条件	密闭于阴凉干燥环境中
稳定性	遵照规定使用和储存则不会分解。
分子结构	1、摩尔折射率：64.24 2、摩尔体积（m³/mol）：212.7 3、等张比容（90.2K）：530.3 4、表面张力（dyne/cm）：38.6 5、极化率（10^-24cm³）：25.46
计算化学	1、疏水参数计算参考值（XlogP）：2.2 2、氢键供体数量：1 3、氢键受体数量：2 4、可旋转化学键数量：5 5、拓扑分子极性表面积（TPSA）：53.9 6、重原子数量：16 7、表面电荷：1 8、复杂度：227 9、同位素原子数量：0 10、确定原子立构中心数量：1 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
更多	1. 性状：淡黄色粘性液体 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）：无可用 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.496-1.498 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

Name:	tert-Butyl (3R)-3-amino-3-phenylpropanoate 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	161671-34-7

Section 1 - Chemical Product MSDS Name:tert-Butyl (3R)-3-amino-3-phenylpropanoate 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
161671-34-7	tert-Butyl (3R)-3-amino-3-phenylpropan	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Causes burns.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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 immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
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# 161671-34-7: 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: Viscous liquid
Color: colorless to 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: C13H19NO2
Molecular Weight: 221.29

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 161671-34-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl (3R)-3-amino-3-phenylpropanoate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
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# 161671-34-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 161671-34-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 161671-34-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

危害码 (欧洲)	C: Corrosive;
风险声明 (欧洲)	R34
安全声明 (欧洲)	45-36/37/39-26

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