2-Furanpropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-
- 中文别名：(R)-N-Boc-3-(2-呋喃基)丙氨酸; (R)-N-叔丁氧羰基-3-(2-呋喃基)丙氨酸
- 中文释义：(R)-N-Boc-3-(2-呋喃基)丙氨酸;BOC-D-2-呋喃基丙氨酸.二环己胺;(R)-N-BOC-3-(2-呋喃基)丙氨酸;(R)-N-叔丁氧羰基-3-(2-呋喃基)丙氨酸;BOC-D-3-(2-呋喃基)-丙氨酸;BOC-D-3-(2-呋喃基)-丙氨酸.二环己胺;BOC-3-(2-呋喃基)丙氨酸
- 英文别名：BOC-D-2-FURYLALANINE DCHA SALT;
N-Boc-2-broMo-D-phenylalanine;
FMOC-L-2-BROMO-PHE-OH;
BOC-D-2-BROMOPHENYLALANINE;
Boc-D-2-Br-Phe-OH;
BOC-2-BROMO-D-PHENYLALANINE;
BOC-D-2-BROMOPHE;
N-Boc-D-2-bromophenylalanine;
N-Boc-D-2-furylalanine;
BOC-O-BROMO-D-PHE-OH;
RARECHEM BK PT 0041
- CAS No.：261380-18-1
- 分子式：
C12H17NO5
- 分子量：255.27
- 精确分子量：255.11100
- PSA：88.77000
- MDL：MFCD01860889
- InChI：InChI=1/C12H17NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/p-1/t9-/m1/s1
- 分子结构式：
物化性质
- 密度：
- 1.207
- 沸点：
- 406.4ºC at 760mmHg
- 闪点：
- 199.6ºC
- 蒸汽压：
- 2.47E-07mmHg at 25°C
- 存储条件/存储方法：
密闭于阴凉干燥环境中
- 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：白色粉末
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）：132.3
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
安全信息
- 密度：
- 1.207
- 沸点：
- 406.4ºC at 760mmHg
- 闪点：
- 199.6ºC
- 蒸汽压：
- 2.47E-07mmHg at 25°C
- 存储条件/存储方法：
密闭于阴凉干燥环境中
- 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：白色粉末
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）：132.3
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
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。
MSDS
| Name: | (R)-N-BOC-2-Furylalanine 95% (98% E.E.) Material Safety Data Sheet |
| Synonym: | N-tert-Butoxycarbonyl-2-furyl-D-alanin |
| CAS: | 261380-18-1 |
Section 1 - Chemical Product MSDS Name:(R)-N-BOC-2-Furylalanine 95% (98% E.E.) Material Safety Data Sheet
Synonym:N-tert-Butoxycarbonyl-2-furyl-D-alanin
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 261380-18-1 | (R)-N-BOC-2-Furylalanine | 95% | unlisted |
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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:
Get medical aid. Wash mouth out with 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 261380-18-1: Personal Protective Equipment Eyes: Not available.
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 to off-white
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: C12H17NO5
Molecular Weight: 255.27
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 261380-18-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-N-BOC-2-Furylalanine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
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# 261380-18-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 261380-18-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 261380-18-1 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2932190090
- 概述：
- 2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
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）：2.3
2、 氢键供体数量：1
3、 氢键受体数量：5
4、 可旋转化学键数量：5
5、 拓扑分子极性表面积（TPSA）：91.6
6、 重原子数量：18
7、 表面电荷：-1
8、 复杂度：305
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
