N-乙酰-DL-4-氟苯基丙氨酸

  • 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

N-乙酰-DL-4-氟苯基丙氨酸 基本信息

中文名称:
N-乙酰-DL-4-氟苯基丙氨酸 
中文别名:
N-乙酰-DL-4-氟苯基苯胺;
N-乙酰-DL-4-氟苯丙氨酸;
N-乙酰-DL-4-氟苯基丙氨酸;
N-乙酰基-4-氟-DL-苯丙氨酸 
英文名称:
Phenylalanine,N-acetyl-4-fluoro-
英文别名:
N-ACETYL-4-FLUORO-DL-PHENYLALANINE;
N-Acetyl-DL-4-fluorophenylalanine;
2-acetamido-3-(4-fluorophenyl)propanoic acid 
CAS No.:
17481-06-0
分 子 式:
C11H12FNO3
分 子 量:
225.22
精确分子量:
225.08000
PSA:
66.40000
MDL:
MFCD00017983
EINECS:
241-495-5
BRN:
3206105
InChI:
InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m1/s1
安全术语:
S22; S24/25;
分子结构式:
SDS:
查看

N-乙酰-DL-4-氟苯基丙氨酸 物化性质

外观与性状:
白色粉末
密度:
1.273g/cm3
熔点:
150-153 °C(lit.)
沸点:
458.9ºC at 760mmHg
闪点:
231.3ºC
蒸汽压:
3.25E-09mmHg 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:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):150-153(lit.)

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

N-乙酰-DL-4-氟苯基丙氨酸 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
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

N-乙酰-DL-4-氟苯基丙氨酸 毒理性

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

N-乙酰-DL-4-氟苯基丙氨酸 MSDS

Name: n- Acetyl-4-Fluoro-DL-Phenylalanine 98% Material Safety Data Sheet
Synonym: Non
CAS: 17481-06-0
Section 1 - Chemical Product   MSDS Name:n- Acetyl-4-Fluoro-DL-Phenylalanine 98% Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17481-06-0 N-Acetyl-4-fluoro-DL-phenylalanine 98% 241-495-5
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.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water fog, dry chemical, carbon dioxide, or regular 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. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 17481-06-0: 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: colorless, white semi-transparent
Odor: aromatic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150 - 153 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: C11H12FNO3
Molecular Weight: 225.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Has not been fully evaluated.
Conditions to Avoid:
Incompatible materials, none reported, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing materials.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17481-06-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Acetyl-4-fluoro-DL-phenylalanine - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 17481-06-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17481-06-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17481-06-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

N-乙酰-DL-4-氟苯基丙氨酸 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%

N-乙酰-DL-4-氟苯基丙氨酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:54.84

2、   摩尔体积(m3/mol):176.9

3、   等张比容(90.2K):462.5

4、   表面张力(dyne/cm):46.7

5、   极化率10-24cm3):21.74

计算化学数据

1.疏水参数计算参考值(XlogP):无

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66.4

7.重原子数量:16

8.表面电荷:0

9.复杂度:262

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:1

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

N-乙酰-DL-4-氟苯基丙氨酸 上游产品

N-乙酰-DL-4-氟苯基丙氨酸 下游产品

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