3-(Boc-氨基)-3-苯基丙酸

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

3-(Boc-氨基)-3-苯基丙酸 基本信息

中文名称:
3-(Boc-氨基)-3-苯基丙酸 
中文别名:
3-(Boc-氨基)-3-苯基丙酸;
3-(叔丁氧基羰基氨基)-3-苯丙酸 
英文名称:
3-(Boc-amino)-3-phenylpropionic acid
英文别名:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;
Boc-3-Amino-3-phenylpropionic acid;
3-tert-butoxycarbonylamino-3-phenyl-propionic acid;
3-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acid 
CAS No.:
14676-01-8
分 子 式:
C14H19NO4
分 子 量:
265.30
精确分子量:
265.13100
PSA:
75.63000
MDL:
MFCD02090695
EINECS:
000-000-0
BRN:
2867023
InChI:
InChI=1/C11H15NO2/c1-9(7-11(13)14)12-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,13,14)/t9-/m0/s1
风险术语:
22
安全术语:
S24/25;
分子结构式:
SDS:
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3-(Boc-氨基)-3-苯基丙酸 物化性质

外观与性状:
灰白色或白色粉末
密度:
1.158
熔点:
186ºC
沸点:
423.2ºC at 760 mmHg
闪点:
209.8ºC
折射率:
1.536
蒸汽压:
3.7E-05mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

1. 性状:白色晶体

2. 密度(g/mL,25/4):1.158

3-(Boc-氨基)-3-苯基丙酸 安全信息

海关代码:
2922499990
安全说明:
S24/25

3-(Boc-氨基)-3-苯基丙酸 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

3-(Boc-氨基)-3-苯基丙酸 MSDS

Name: 3-Benzylaminobutyric Acid 98% Material Safety Data Sheet
Synonym: None Known
CAS: 14676-01-8
Section 1 - Chemical Product   MSDS Name:3-Benzylaminobutyric Acid 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14676-01-8 3-Benzylaminobutyric Acid 98% unlisted
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. Wash mouth out with 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 water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

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. 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 breathing dust, vapor, mist, or gas. 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# 14676-01-8: 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: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 186 - 188 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: soluble in water
Specific Gravity/Density:
Molecular Formula: C6H5CH2NHCH(CH3)CH2COOH
Molecular Weight: 193.1105

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14676-01-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Benzylaminobutyric 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
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.
WGK (Water Danger/Protection)
CAS# 14676-01-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14676-01-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14676-01-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(Boc-氨基)-3-苯基丙酸 海关数据

中国海关编码:2922499990

概述:
2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

3-(Boc-氨基)-3-苯基丙酸 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1、   摩尔折射率:70.50

2、   摩尔体积(m3/mol):229.0

3、   等张比容(90.2K):590.8

4、   表面张力(dyne/cm):44.2

5、   极化率10-24cm3):27.94

计算化学数据

1、   疏水参数计算参考值(XlogP):-0.4

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:4

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA);56.7

7、   重原子数量:1514

8、   表面电荷:0

9、   复杂度:171

10、 同位素原子数量:0

11、 确定原子立构中心数量:1

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

3-(Boc-氨基)-3-苯基丙酸 下游产品

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